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1H-Indole-3-butanoic acid, 1-methyl-.gamma.-oxo-, methyl ester
SpectraBase Compound ID HOgM1KAyDVx
InChI InChI=1S/C14H15NO3/c1-15-9-11(10-5-3-4-6-12(10)15)13(16)7-8-14(17)18-2/h3-6,9H,7-8H2,1-2H3
InChIKey CZRKAUYNCOMCDU-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C14H15NO3
Exact Mass 245.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kqy2HY76XHy
Name 1H-Indole-3-butanoic acid, 1-methyl-.gamma.-oxo-, methyl ester
Alternate Name(s) 4-(1-Methyl-3-indolyl)-4-oxobutanoic acid methyl ester Methyl 4-(1-methyl-1H-indol-3-yl)-4-oxobutanoate 4-keto-4-(1-methylindol-3-yl)butyric acid methyl ester Methyl 4-(1-methylindol-3-yl)-4-oxidanylidene-butanoate Methyl 4-(1-methylindol-3-yl)-4-oxo-butanoate
CAS Registry Number 40547-43-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H15NO3
InChI InChI=1S/C14H15NO3/c1-15-9-11(10-5-3-4-6-12(10)15)13(16)7-8-14(17)18-2/h3-6,9H,7-8H2,1-2H3
InChIKey CZRKAUYNCOMCDU-UHFFFAOYSA-N
Molecular Weight 245.278 g/mol
SMILES c1(c[n](C)c2c1cccc2)C(=O)CCC(=O)OC
SPLASH splash10-0a4i-1910000000-b086b757d6dd9b506b20
Source of Spectrum HC-12-171-0
Wiley ID 1248013