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2,2-Dimethyl-3-(3-methyl-1H-indol-2-yl)propanoic acid

View entire compound with spectra: 1 MS (GC)

2,2-Dimethyl-3-(3-methyl-1H-indol-2-yl)propanoic acid
SpectraBase Compound ID ASVGLtG9iF9
InChI InChI=1S/C14H17NO2/c1-9-10-6-4-5-7-11(10)15-12(9)8-14(2,3)13(16)17/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKey VHRVDEXWGVBETJ-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HbH3LyFzaI
Name 2,2-Dimethyl-3-(3-methyl-1H-indol-2-yl)propanoic acid
CAS Registry Number 125687-09-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-9-10-6-4-5-7-11(10)15-12(9)8-14(2,3)13(16)17/h4-7,15H,8H2,1-3H3,(H,16,17)
InChIKey VHRVDEXWGVBETJ-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES [nH]1c2ccccc2c(c1CC(C(=O)O)(C)C)C
SPLASH splash10-052e-9620000000-5dadd1aa87399da997f5
Source of Spectrum J-55-2911-4
Wiley ID 1232911