1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID(6914-76-7) 1H NMR
Product Name1-METHYLCYCLOPROPANE-1-CARBOXYLIC ACID
CAS6914-76-7
Molecular FormulaC5H8O2
Molecular Weight100.12
InChIInChI=1S/C5H8O2/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H,6,7)
InChIKey DIZKLZKLNKQFGB-UHFFFAOYSA-N
SmilesC1(C)(C(O)=O)CC1
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MassMS-NW-8562 1-methylcyclopropanecarboxylic acid C5H8O2 (Mass of molecular ion: 100)
Source Temperature: 260 °C Sample Temperature: 140 °C Reservoir, 75 eV
15.0 2.1 26.0 7.6 27.0 35.8 28.0 16.0 29.0 46.9 30.0 1.3 31.0 1.7 37.0 2.0 38.0 3.7 39.0 37.0 40.0 4.1 41.0 28.7 42.0 3.7 43.0 12.0 44.0 1.6 45.0 16.7 49.0 1.0 50.0 4.9 51.0 5.5 52.0 1.9 53.0 19.9 54.0 20.6 55.0 100.0 56.0 22.5 57.0 7.1 58.0 3.7 59.0 3.3 60.0 1.4 69.0 3.3 71.0 2.9 72.0 4.3 73.0 2.9 74.0 2.5 81.0 1.9 82.0 13.1 83.0 4.4 85.0 28.8 86.0 1.4 99.0 27.9 100.0 24.5 101.0 1.8
400 MHz in CDCl3
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1H NMR 399.65 MHz C5 H8 O2 0.05 ml : 0.5 ml CDCl3 1-methylcyclopropanecarboxylic acid 
Assign. Shift(ppm)
A 12.2 B 1.29 C 1.282 D 0.742
Hz ppm Int.4891.82 12.241 50 520.93 1.304 212 520.19 1.302 192 519.64 1.301 151 519.09 1.299 173 517.08 1.294 507 516.71 1.293 512 513.60 1.286 714 512.32 1.282 1000 501.88 1.256 32 500.41 1.253 39 302.41 0.757 203 301.68 0.755 186 298.20 0.747 650 295.08 0.739 548 291.42 0.730 165 290.69 0.728 151
in CDCl3
KBr disc
liquid film
nujol mull
4880 A,200 M,powder
