2-METHYL-4-PENTENOIC ACID(1575-74-2) 1H NMR
Product Name2-METHYL-4-PENTENOIC ACID
CAS1575-74-2
Molecular FormulaC6H10O2
Molecular Weight114.14
InChIInChI=1S/C6H10O2/c1-3-4-5(2)6(7)8/h3,5H,1,4H2,2H3,(H,7,8)
InChIKey HVRZYSHVZOELOH-UHFFFAOYSA-N
SmilesC(O)(=O)C(C)CC=C
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MassMS-IW-6979 2-methyl-4-pentenoic acid C6H10O2 (Mass of molecular ion: 114)
Source Temperature: 220 °C Sample Temperature: 150 °C Reservoir, 75 eV
26.0 1.7 27.0 11.3 28.0 5.6 29.0 5.8 31.0 1.0 38.0 1.9 39.0 22.0 40.0 4.2 41.0 80.5 42.0 10.8 43.0 10.1 44.0 3.1 45.0 6.9 51.0 1.4 53.0 7.8 54.0 1.6 55.0 10.2 56.0 13.1 57.0 8.3 58.0 2.5 60.0 2.0 65.0 1.1 67.0 8.1 68.0 11.0 69.0 100.0 70.0 9.5 71.0 5.9 72.0 2.3 73.0 6.3 74.0 5.1 81.0 3.6 85.0 1.0 86.0 2.0 87.0 1.1 95.0 1.1 96.0 3.2 97.0 1.6 99.0 19.2 100.0 1.1 114.0 16.3 115.0 1.4
400 MHz in CDCl3
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1H NMR 399.65 MHz C6 H10 O2 0.05 ml : 0.5 ml CDCl3 2-methyl-4-pentenoic acid 
Assign. Shift(ppm)
A 11.4 B 5.768 C 5.09 D 5.05 E 2.553 F *1 2.444 G *1 2.209 J 1.189
Hz ppm Int.2326.95 5.823 52 2319.80 5.805 77 2316.87 5.798 57 2313.03 5.788 58 2309.91 5.780 134 2302.77 5.762 140 2299.66 5.755 65 2295.81 5.745 65 2292.51 5.737 92 2285.73 5.720 67 2045.05 5.118 81 2043.59 5.114 171 2041.76 5.109 194 2040.29 5.106 96 2028.02 5.075 98 2026.19 5.070 298 2025.09 5.068 262 2024.54 5.066 269 2023.26 5.063 164 2017.03 5.047 96 2015.93 5.045 171 2015.01 5.042 151 2014.10 5.040 147 2013.00 5.037 80 1032.14 2.583 90 1025.18 2.566 188 1018.22 2.548 208 1011.26 2.531 122 1004.49 2.514 32 992.40 2.484 39 991.11 2.480 58 989.83 2.477 41 985.62 2.467 60 984.34 2.464 91 983.05 2.460 64 978.29 2.448 64 977.19 2.446 93 975.73 2.442 61 971.70 2.432 81 970.42 2.429 122 968.95 2.425 87 964.92 2.415 40 963.64 2.412 58 962.17 2.408 40 896.97 2.245 45 895.87 2.242 66 894.59 2.239 47 889.82 2.227 78 888.72 2.224 119 887.44 2.221 81 882.86 2.210 69 881.58 2.206 105 880.48 2.204 73 875.72 2.192 58 874.62 2.189 90 873.52 2.186 61 868.76 2.174 30 867.48 2.171 46 866.19 2.168 32 478.80 1.199 1000 471.84 1.181 964
in CDCl3
liquid film
