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ethyl 5-(acetyloxy)-1-benzyl-2-methyl-1H-indole-3-carboxylate
SpectraBase Compound ID 6MyHaWxlYIF
InChI InChI=1S/C21H21NO4/c1-4-25-21(24)20-14(2)22(13-16-8-6-5-7-9-16)19-11-10-17(12-18(19)20)26-15(3)23/h5-12H,4,13H2,1-3H3
InChIKey VSLRICCFOMBSKJ-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HPwjzupXsgb
Name Ethyl 5-(acetyloxy)-1-benzyl-2-methyl-1H-indole-3-carboxylate
Alternate Name(s) 5-Acetoxy-1-benzyl-2-methyl-indole-3-carboxylic acid ethyl ester 5-Acetyloxy-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester Ethyl 5-acetoxy-1-benzyl-2-methyl-indole-3-carboxylate Ethyl 5-acetyloxy-1-benzyl-2-methylindole-3-carboxylate Ethyl 5-acetyloxy-2-methyl-1-(phenylmethyl)indole-3-carboxylate Indole-3-carboxylic acid, 5-acetoxy-1-benzyl-2-methyl-, ethyl ester
CAS Registry Number 37075-91-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-4-25-21(24)20-14(2)22(13-16-8-6-5-7-9-16)19-11-10-17(12-18(19)20)26-15(3)23/h5-12H,4,13H2,1-3H3
InChIKey VSLRICCFOMBSKJ-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES c1(c([n](Cc2ccccc2)c2c1cc(OC(=O)C)cc2)C)C(=O)OCC
SPLASH splash10-0pb9-2009000000-5eae04fc1696479eb260
Source of Spectrum AD-0-2532-0
Wiley ID 1432811