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1H-Indole-3-carboxylic acid, 2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]methyl]-1-methyl-
SpectraBase Compound ID 4ysNUWPHjFm
InChI InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)23-11-9-14(10-12-23)13-17-18(19(24)25)15-7-5-6-8-16(15)22(17)4/h5-8,13H,9-12H2,1-4H3,(H,24,25)
InChIKey QYYSNXSFLHDXCQ-UHFFFAOYSA-N
Mol Weight 370.45 g/mol
Molecular Formula C21H26N2O4
Exact Mass 370.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4A8NWOnoEfN
Name 1H-Indole-3-carboxylic acid, 2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]methyl]-1-methyl-
Alternate Name(s) 1-Methyl-2-[(1-(tert-butoxycarbonyl)piperid-4-ylidene)methyl]indole-3-carboxylic acid 2-{[1-(tert-butoxycarbonyl)-4-piperidinylidene]methyl}-1-methyl-1H-indole-3-carboxylic acid
CAS Registry Number 122946-90-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O4
InChI InChI=1S/C21H26N2O4/c1-21(2,3)27-20(26)23-11-9-14(10-12-23)13-17-18(19(24)25)15-7-5-6-8-16(15)22(17)4/h5-8,13H,9-12H2,1-4H3,(H,24,25)
InChIKey QYYSNXSFLHDXCQ-UHFFFAOYSA-N
Molecular Weight 370.449 g/mol
SMILES OC(c1c([n](C)c2c1cccc2)C=C1CCN(C(OC(C)(C)C)=O)CC1)=O
SPLASH splash10-052b-4931000000-4f8a2b15d91c847d7591
Source of Spectrum J-54-4791-6
Wiley ID 1354374