Butyric Acid(107-92-6) Raman
Product NameButyric Acid
CAS107-92-6
Molecular FormulaC4H8O2
Molecular Weight88.11
InChIInChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey FERIUCNNQQJTOY-UHFFFAOYSA-N
SmilesC(O)(=O)CCC
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MassMS-IW-0362 butyric acid C4H8O2 (Mass of molecular ion: 88)
Source Temperature: 220 °C Sample Temperature: 160 °C Reservoir, 75 eV
26.0 1.5 27.0 13.6 28.0 4.1 29.0 8.1 38.0 1.1 39.0 6.6 40.0 1.2 41.0 16.3 42.0 14.0 43.0 14.1 45.0 9.9 55.0 6.7 60.0 100.0 61.0 2.7 69.0 1.3 70.0 1.5 71.0 2.9 73.0 32.5 74.0 1.2 87.0 1.9 88.0 2.6 89.0 1.7
90 MHz in CDCl3
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1H NMR 89.56 MHz C4 H8 O2 10.4 mol% in CDCl3 butyric acid 
Assign. Shift(ppm)
A 0.983 B 1.675 C 2.334 D 11.51
Hz ppm Int.1030.50 11.507 1000 217.38 2.428 203 216.38 2.417 222 209.88 2.344 367 209.38 2.338 455 202.75 2.264 331 202.00 2.256 349 168.00 1.876 49 161.50 1.804 86 160.50 1.793 127 159.38 1.780 40 154.50 1.726 106 153.63 1.716 254 152.63 1.705 146 146.63 1.638 183 145.88 1.629 175 145.38 1.624 218 140.00 1.564 60 138.75 1.550 151 131.75 1.472 47 95.00 1.061 263 94.25 1.053 489 87.38 0.976 966 86.75 0.969 544 80.50 0.899 171 79.75 0.891 300 78.75 0.880 157
in CDCl3
liquid film
