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3-(1H-indol-2-yl)propanoic acid methyl ester
SpectraBase Compound ID JEEhTRTS6mf
InChI InChI=1S/C12H13NO2/c1-15-12(14)7-6-10-8-9-4-2-3-5-11(9)13-10/h2-5,8,13H,6-7H2,1H3
InChIKey KESSAPDPBMCDLZ-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C12H13NO2
Exact Mass 203.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GeIQ7JKLzof
Name 3-(1H-indol-2-yl)propanoic acid methyl ester
Alternate Name(s) 3-(1H-indol-2-yl)propionic acid methyl ester Methyl 3-(1H-indol-2-yl)propanoate
CAS Registry Number 27798-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2
InChI InChI=1S/C12H13NO2/c1-15-12(14)7-6-10-8-9-4-2-3-5-11(9)13-10/h2-5,8,13H,6-7H2,1H3
InChIKey KESSAPDPBMCDLZ-UHFFFAOYSA-N
Molecular Weight 203.241 g/mol
SMILES [nH]1c2c(cc1CCC(=O)OC)cccc2
SPLASH splash10-001i-0940000000-19f570474c4d73ec7739
Source of Spectrum A-1-107-1
Wiley ID 1200839