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1H-Pyrrole-2-carboxylic acid, 5-(5-hydroxy-2-methyl-2-nitro-3-pentenyl)-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z)-(.+-.)-
SpectraBase Compound ID FsgJ6Wjqikm
InChI InChI=1S/C17H26N2O5/c1-11-12(2)14(15(21)24-16(3,4)5)18-13(11)10-17(6,19(22)23)8-7-9-20/h7-8,18,20H,9-10H2,1-6H3/b8-7-
InChIKey PSABZTHAIUNHBH-FPLPWBNLSA-N
Mol Weight 338.4 g/mol
Molecular Formula C17H26N2O5
Exact Mass 338.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUWgLR8F07Z
Name 1H-Pyrrole-2-carboxylic acid, 5-(5-hydroxy-2-methyl-2-nitro-3-pentenyl)-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z)-(.+-.)-
CAS Registry Number 114090-56-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26N2O5
InChI InChI=1S/C17H26N2O5/c1-11-12(2)14(15(21)24-16(3,4)5)18-13(11)10-17(6,19(22)23)8-7-9-20/h7-8,18,20H,9-10H2,1-6H3/b8-7-
InChIKey PSABZTHAIUNHBH-FPLPWBNLSA-N
Molecular Weight 338.404 g/mol
SMILES [nH]1c(c(c(c1CC(\C=C/CO)(N(=O)=O)C)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0udi-2900000000-50cbcfb0bd8926a4ddc5
Source of Spectrum KC-1987-2040-22
Synonyms t-Butyl 5-[(Z)-5-hydroxy-2-methyl-2-nitropent-3-enyl]-3,4-dimethylpyrrole-2-carboxylate tert-Butyl 5-[(3Z)-5-hydroxy-2-methyl-2-nitro-3-pentenyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1333611