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1H-Indole-3-carboxylic acid, 2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]methyl]-5-methoxy-1-methyl-
SpectraBase Compound ID L6tXIrZohqN
InChI InChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)24-10-8-14(9-11-24)12-18-19(20(25)26)16-13-15(28-5)6-7-17(16)23(18)4/h6-7,12-13H,8-11H2,1-5H3,(H,25,26)
InChIKey GVQUIXPCBPAJQS-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C22H28N2O5
Exact Mass 400.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Gk1gNUAJiN
Name 1H-Indole-3-carboxylic acid, 2-[[1-[(1,1-dimethylethoxy)carbonyl]-4-piperidinylidene]methyl]-5-methoxy-1-methyl-
Alternate Name(s) 2-{[1-(tert-butoxycarbonyl)-4-piperidinylidene]methyl}-5-methoxy-1-methyl-1H-indole-3-carboxylic acid 5-Methoxy-1-methyl-2-[(1-(tert-butoxycarbonyl)piperid-4-ylidene)methyl]indole-3-carboxylic acid
CAS Registry Number 122946-89-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O5
InChI InChI=1S/C22H28N2O5/c1-22(2,3)29-21(27)24-10-8-14(9-11-24)12-18-19(20(25)26)16-13-15(28-5)6-7-17(16)23(18)4/h6-7,12-13H,8-11H2,1-5H3,(H,25,26)
InChIKey GVQUIXPCBPAJQS-UHFFFAOYSA-N
Molecular Weight 400.475 g/mol
SMILES OC(c1c([n](C)c2c1cc(cc2)OC)C=C1CCN(C(OC(C)(C)C)=O)CC1)=O
SPLASH splash10-0a70-5092000000-81523f731cb78f6ae4bb
Source of Spectrum J-54-4791-6
Wiley ID 1369426