Indole-3-butyric acid(133-32-4) 1H NMR
Product NameIndole-3-butyric acid
CAS133-32-4
Molecular FormulaC12H13NO2
Molecular Weight203.24
InChIInChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
SmilesN1C2=C(C=CC=C2)C(CCCC(O)=O)=C1
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MassMS-NW-0624 4-(3-indolyl)butyric acid C12H13NO2 (Mass of molecular ion: 203)
Source Temperature: 200 °C Sample Temperature: 1330 °C Direct, 75 eV
39.0 1.1 51.0 1.7 63.0 1.3 65.0 1.0 76.0 1.1 77.0 6.3 89.0 1.0 102.0 2.7 103.0 5.0 115.0 2.3 117.0 1.8 128.0 2.2 129.0 3.7 130.0 100.0 131.0 11.2 142.0 1.5 143.0 8.8 144.0 3.0 156.0 2.0 203.0 29.6 204.0 4.0
KBr disc
nujol mull
