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

*Links on SpectraBase are not permalinks.
1H-Pyrrole-2-carboxylic acid, 5-[[3-(carboxymethyl)-4,4-dimethyl-5-oxo-2-pyrrolidinylidene]methyl]-3,4-dimethyl-, 2-(1,1-dimethylethyl)ester, (Z)-(.+-.)-
SpectraBase Compound ID 5EdOYJC0Ae8
InChI InChI=1S/C20H28N2O5/c1-10-11(2)16(17(25)27-19(3,4)5)21-13(10)9-14-12(8-15(23)24)20(6,7)18(26)22-14/h9,12,21H,8H2,1-7H3,(H,22,26)(H,23,24)/b14-9-
InChIKey QFHASUNHBARNJB-ZROIWOOFSA-N
Mol Weight 376.45 g/mol
Molecular Formula C20H28N2O5
Exact Mass 376.199822 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 DWoHqC4NUWt
Name 1H-Pyrrole-2-carboxylic acid, 5-[[3-(carboxymethyl)-4,4-dimethyl-5-oxo-2-pyrrolidinylidene]methyl]-3,4-dimethyl-, 2-(1,1-dimethylethyl)ester, (Z)-(.+-.)-
CAS Registry Number 114605-25-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28N2O5
InChI InChI=1S/C20H28N2O5/c1-10-11(2)16(17(25)27-19(3,4)5)21-13(10)9-14-12(8-15(23)24)20(6,7)18(26)22-14/h9,12,21H,8H2,1-7H3,(H,22,26)(H,23,24)/b14-9-
InChIKey QFHASUNHBARNJB-ZROIWOOFSA-N
Molecular Weight 376.453 g/mol
SMILES [nH]1c(c(c(c1\C=C/1C(CC(=O)O)C(C)(C)C(N1)=O)C)C)C(OC(C)(C)C)=O
SPLASH splash10-014i-0910000000-4fe271f022c6b066ddcf
Source of Spectrum AH-118-981-6
Synonyms ((2Z)-2-{[5-(tert-butoxycarbonyl)-3,4-dimethyl-1H-pyrrol-2-yl]methylene}-4,4-dimethyl-5-oxopyrrolidinyl)acetic acid t-Butyl rac-(Z)-1,3,4,5-tetrahydro-4-methoxycarbonyl-3',4,4,4'-tetramethyl-5-oxo-2,2'-pyrromethen-5'-carboxylate
Wiley ID 1357702