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1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
SpectraBase Compound ID BBd5in5RtR4
InChI InChI=1S/C11H13NO3/c1-6-9(11(14)15-2)8(13)5-7-3-4-12-10(6)7/h12H,3-5H2,1-2H3
InChIKey XDKFJVZKNPSHIW-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RFeqxc8hFm
Name 1H-Indole-6-carboxylic acid, 2,3,4,5-tetrahydro-7-methyl-5-oxo-, methyl ester
CAS Registry Number 56783-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-6-9(11(14)15-2)8(13)5-7-3-4-12-10(6)7/h12H,3-5H2,1-2H3
InChIKey XDKFJVZKNPSHIW-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES N1CCC=2CC(C(=C(C12)C)C(OC)=O)=O
SPLASH splash10-004i-3910000000-e989c4aceb35de092759
Source of Spectrum EP-6979-0-0
Synonyms Methyl 7-methyl-5-oxo-2,3,4,5-tetrahydro-1H-indole-6-carboxylate 5-keto-7-methyl-1,2,3,4-tetrahydroindole-6-carboxylic acid methyl ester 7-Methyl-5-oxo-1,2,3,4-tetrahydroindole-6-carboxylic acid methyl ester Methyl 7-methyl-5-oxidanylidene-1,2,3,4-tetrahydroindole-6-carboxylate Methyl 7-methyl-5-oxo-1,2,3,4-tetrahydroindole-6-carboxylate
Wiley ID 1205689