For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-[(phenylmethyl)thio]-, dimethyl ester
SpectraBase Compound ID E3hQwXASzbZ
InChI InChI=1S/C23H22N2O5S/c1-28-18-11-9-16(10-12-18)13-24-25-14-19(22(26)29-2)20(23(27)30-3)21(25)31-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3/b24-13+
InChIKey JUQILHPBASBSJU-ZMOGYAJESA-N
Mol Weight 438.5 g/mol
Molecular Formula C23H22N2O5S
Exact Mass 438.124943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID LZ7hh1caD2c
Name 1H-Pyrrole-3,4-dicarboxylic acid, 1-[[(4-methoxyphenyl)methylene]amino]-2-[(phenylmethyl)thio]-, dimethyl ester
CAS Registry Number 132397-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N2O5S
InChI InChI=1S/C23H22N2O5S/c1-28-18-11-9-16(10-12-18)13-24-25-14-19(22(26)29-2)20(23(27)30-3)21(25)31-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3/b24-13+
InChIKey JUQILHPBASBSJU-ZMOGYAJESA-N
Molecular Weight 438.498 g/mol
SMILES c1(c(c(SCc2ccccc2)[n](c1)\N=C\c1ccc(cc1)OC)C(=O)OC)C(=O)OC
SPLASH splash10-006x-9080000000-a7b89354afc9dbb3255d
Source of Spectrum KC-1990-3088-24
Synonyms Dimethyl 1-((4-methoxyphenyl)methyleneamino)-2-benzylthiopyrrole-3,4-dicarboxylate Dimethyl 2-(benzylsulfanyl)-1-{[(E)-(4-methoxyphenyl)methylidene]amino}-1H-pyrrole-3,4-dicarboxylate
Wiley ID 1384097