8-NONYNOIC ACID(30964-01-3) 13C NMR
Product Name8-NONYNOIC ACID
CAS30964-01-3
Molecular FormulaC9H14O2
Molecular Weight154.21
InChIInChI=1S/C9H14O2/c1-2-3-4-5-6-7-8-9(10)11/h1H,3-8H2,(H,10,11)
InChIKey NLRIJHGYFNZMGB-UHFFFAOYSA-N
SmilesC(O)(=O)CCCCCCC#C
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MassMS-IW-9260 8-nonynoic acid C9H14O2 (Mass of molecular ion: 154)
Source Temperature: 210 °C Sample Temperature: 150 °C Reservoir, 75 eV
18.0 3.3 26.0 1.9 27.0 29.3 28.0 11.4 29.0 19.8 31.0 3.6 38.0 3.1 39.0 43.8 40.0 11.9 41.0 85.6 42.0 13.9 43.0 29.3 44.0 2.4 45.0 23.5 50.0 3.6 51.0 8.1 52.0 5.3 53.0 27.8 54.0 82.6 55.0 100.0 56.0 7.5 57.0 6.4 58.0 3.0 59.0 6.1 60.0 65.2 61.0 4.1 63.0 1.9 65.0 9.5 66.0 6.5 67.0 61.2 68.0 26.6 69.0 50.1 70.0 10.0 71.0 23.8 72.0 2.1 73.0 31.7 74.0 3.4 77.0 10.9 78.0 4.2 79.0 73.4 80.0 13.7 81.0 64.6 82.0 9.7 83.0 5.6 84.0 6.0 85.0 2.3 86.0 1.8 87.0 2.9 91.0 11.7 92.0 5.5 93.0 25.2 94.0 93.7 95.0 55.8 96.0 10.0 97.0 18.5 98.0 2.8 99.0 4.4 100.0 3.9 104.0 1.1 105.0 1.2 107.0 3.2 108.0 7.4 109.0 8.4 110.0 1.4 111.0 5.1 112.0 3.6 113.0 4.3 114.0 13.8 115.0 5.0 117.0 1.1 118.0 1.0 121.0 7.3 125.0 1.4 126.0 1.6 135.0 1.2 139.0 1.0 259.0 2.0
400 MHz in CDCl3
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1H NMR 399.65 MHz C9 H14 O2 0.05 ml : 0.5 ml CDCl3 8-nonynoic acid 
Assign. Shift(ppm)
A 10.5 B 2.360 C 2.186 D 1.953 E 1.649 F 1.534 G 1.40
Hz ppm Int.950.93 2.380 572 943.45 2.361 1000 935.97 2.342 620 882.11 2.208 336 879.67 2.202 395 875.40 2.191 660 872.80 2.184 710 868.23 2.173 415 865.63 2.166 416 783.23 1.960 432 780.64 1.954 756 778.05 1.947 429 673.98 1.687 183 666.50 1.668 436 659.18 1.650 576 651.70 1.631 441 644.23 1.612 186 627.59 1.571 134 620.73 1.554 328 613.86 1.536 511 606.84 1.519 468 599.82 1.501 218 592.65 1.483 78 592.19 1.482 78
in CDCl3
liquid film
