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1H-Indole-1,3-dicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl)3-ethyl ester
SpectraBase Compound ID 4mo15zUD6ph
InChI InChI=1S/C17H21NO4/c1-6-21-15(19)14-11(2)18(16(20)22-17(3,4)5)13-10-8-7-9-12(13)14/h7-10H,6H2,1-5H3
InChIKey MJUIPWHICHKDAT-UHFFFAOYSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qt8C2ZmTCQ
Name 1H-Indole-1,3-dicarboxylic acid, 2-methyl-, 1-(1,1-dimethylethyl)3-ethyl ester
Alternate Name(s) 1-tert-Butyl 3-ethyl 2-methyl-1H-indole-1,3-dicarboxylate Ethyl 1-(tert-butoxycarbonyl)-2-methylindole-3-carboxylate
CAS Registry Number 122946-64-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
InChI InChI=1S/C17H21NO4/c1-6-21-15(19)14-11(2)18(16(20)22-17(3,4)5)13-10-8-7-9-12(13)14/h7-10H,6H2,1-5H3
InChIKey MJUIPWHICHKDAT-UHFFFAOYSA-N
Molecular Weight 303.358 g/mol
SMILES c1([n](c2c(c1C(=O)OCC)cccc2)C(OC(C)(C)C)=O)C
SPLASH splash10-0pba-4493000000-2f59ea55c95b57583424
Source of Spectrum J-54-4789-3
Wiley ID 1305657