2-NONYNOIC ACID CIS-3-HEXEN-1-YL ESTER(68480-29-5) 13C NMR
Product Name2-NONYNOIC ACID CIS-3-HEXEN-1-YL ESTER
CAS68480-29-5
Molecular FormulaC15H24O2
Molecular Weight236.35
InChIInChI=1S/C15H24O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h6,8H,3-5,7,9-10,12,14H2,1-2H3/b8-6-
InChIKey PDPNRGJWKDIKKR-VURMDHGXSA-N
SmilesC(OCC/C=C\CC)(=O)C#CCCCCCC
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MassMS-IW-7357 cis-3-hexenyl 2-nonynoate C15H24O2 (Mass of molecular ion: 236)
Source Temperature: 230 °C Sample Temperature: 150 °C Reservoir, 75 eV
27.0 6.2 28.0 1.5 29.0 6.4 38.0 1.0 39.0 9.7 40.0 1.8 41.0 24.6 42.0 3.5 43.0 11.9 44.0 5.1 50.0 1.0 51.0 2.3 52.0 1.7 53.0 6.7 54.0 6.8 55.0 18.9 56.0 1.7 65.0 2.9 66.0 5.0 67.0 70.5 68.0 6.1 69.0 7.2 70.0 1.2 77.0 2.6 79.0 6.3 80.0 1.4 81.0 14.6 82.0 100.0 83.0 9.2 91.0 1.4 93.0 1.5 95.0 3.0 107.0 1.2 137.0 16.9 138.0 1.8 155.0 3.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C15 H24 O2 0.05 ml : 0.5 ml CDCl3 cis-3-hexenyl 2-nonynoate 
Assign. Shift(ppm)
A 5.524 B 5.318 C 4.141 D 2.415 E 2.323 F 2.061 G 1.574 J 1.402 K 1.30 L 0.975 M 0.892
Hz ppm Int.2221.31 5.559 39 2215.45 5.544 45 2213.99 5.540 80 2212.28 5.536 58 2210.45 5.531 54 2208.86 5.527 37 2206.67 5.522 46 2204.71 5.517 66 2203.13 5.513 100 2201.66 5.509 56 2197.39 5.499 30 2195.92 5.495 52 2137.33 5.349 49 2131.59 5.334 58 2130.00 5.330 102 2128.42 5.326 70 2126.59 5.322 45 2124.39 5.316 38 2122.68 5.312 55 2120.97 5.308 64 2119.26 5.303 80 2117.68 5.299 45 2111.94 5.285 40 1662.23 4.160 306 1655.27 4.142 606 1648.19 4.125 314 976.68 2.444 72 975.95 2.443 70 975.22 2.441 71 969.73 2.427 193 968.99 2.425 193 968.26 2.423 194 962.40 2.409 195 961.67 2.407 190 960.94 2.405 186 955.32 2.391 71 954.71 2.389 70 953.86 2.387 69 935.91 2.342 295 928.71 2.324 589 921.63 2.307 314 839.84 2.102 34 838.99 2.100 32 838.26 2.098 35 832.28 2.083 135 831.54 2.081 123 830.69 2.079 129 824.83 2.064 199 824.10 2.063 186 823.36 2.061 194 817.38 2.046 143 816.65 2.044 131 815.80 2.042 140 809.94 2.027 41 809.20 2.025 37 808.35 2.023 39 644.04 1.612 48 636.96 1.594 142 629.88 1.577 181 629.15 1.575 187 621.83 1.556 173 614.62 1.538 74 575.20 1.440 54 567.99 1.422 101 566.28 1.417 94 561.16 1.405 115 560.42 1.403 119 559.08 1.399 103 555.54 1.391 73 552.73 1.384 104 545.65 1.366 63 538.70 1.348 38 535.64 1.341 48 530.27 1.327 91 529.66 1.326 93 528.44 1.323 85 526.12 1.317 69 522.71 1.308 193 519.65 1.301 293 516.60 1.293 218 515.87 1.291 220 514.65 1.288 179 512.45 1.283 172 509.03 1.274 138 505.13 1.264 70 503.05 1.259 46 501.59 1.256 41 500.00 1.252 31 397.22 0.994 554 389.77 0.976 1000 382.20 0.957 522 363.65 0.910 282 356.81 0.893 730 349.73 0.876 315
in CDCl3
liquid film
