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3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester
SpectraBase Compound ID 2NU6S4g4ILz
InChI InChI=1S/C26H23N3O4/c1-26(2,3)33-25(32)29-14-18(16-10-6-8-12-20(16)29)22-21(23(30)28(4)24(22)31)17-13-27-19-11-7-5-9-15(17)19/h5-14,27H,1-4H3
InChIKey JOKUANVZEPBCJI-UHFFFAOYSA-N
Mol Weight 441.49 g/mol
Molecular Formula C26H23N3O4
Exact Mass 441.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Yu27WDwGyY
Name 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxo-3-pyrrolyl]-1-indolecarboxylic acid tert-butyl ester
CAS Registry Number 119139-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3O4
InChI InChI=1S/C26H23N3O4/c1-26(2,3)33-25(32)29-14-18(16-10-6-8-12-20(16)29)22-21(23(30)28(4)24(22)31)17-13-27-19-11-7-5-9-15(17)19/h5-14,27H,1-4H3
InChIKey JOKUANVZEPBCJI-UHFFFAOYSA-N
Molecular Weight 441.487 g/mol
SMILES [nH]1c2c(c(c1)C1=C(C(N(C)C1=O)=O)c1c[n](C(OC(C)(C)C)=O)c3c1cccc3)cccc2
SPLASH splash10-0006-0039000000-3cec8951ebfd9ba089a2
Source of Spectrum F-44-2891-11
Synonyms 3-[4-(1H-indol-3-yl)-2,5-diketo-1-methyl-3-pyrrolin-3-yl]indole-1-carboxylic acid tert-butyl ester tert-Butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-bis(oxidanylidene)pyrrol-3-yl]indole-1-carboxylate tert-Butyl 3-[4-(1H-indol-3-yl)-1-methyl-2,5-dioxo-pyrrol-3-yl]indole-1-carboxylate
Wiley ID 1385097