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1H-Pyrrole-2-carboxylic acid, 5-(5-methoxy-2-methyl-2-nitro-5-oxo-3-pentenyl)-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Pyrrole-2-carboxylic acid, 5-(5-methoxy-2-methyl-2-nitro-5-oxo-3-pentenyl)-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z)-(.+-.)-
SpectraBase Compound ID 47iY5IH3WJG
InChI InChI=1S/C18H26N2O6/c1-11-12(2)15(16(22)26-17(3,4)5)19-13(11)10-18(6,20(23)24)9-8-14(21)25-7/h8-9,19H,10H2,1-7H3/b9-8-
InChIKey UUUBWLLENAAFIY-HJWRWDBZSA-N
Mol Weight 366.41 g/mol
Molecular Formula C18H26N2O6
Exact Mass 366.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1emS10tkub4
Name 1H-Pyrrole-2-carboxylic acid, 5-(5-methoxy-2-methyl-2-nitro-5-oxo-3-pentenyl)-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z)-(.+-.)-
CAS Registry Number 114090-55-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H26N2O6
InChI InChI=1S/C18H26N2O6/c1-11-12(2)15(16(22)26-17(3,4)5)19-13(11)10-18(6,20(23)24)9-8-14(21)25-7/h8-9,19H,10H2,1-7H3/b9-8-
InChIKey UUUBWLLENAAFIY-HJWRWDBZSA-N
Molecular Weight 366.414 g/mol
SMILES [nH]1c(c(c(c1CC(N(=O)=O)(\C=C/C(=O)OC)C)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0udi-1900000000-a2b1089c711d90a3cc4f
Source of Spectrum KC-1987-2040-21
Synonyms Methyl (Z)-5-(3,4-dimethyl-5-t-butoxycarbonylopyrrol-2-yl)-4-methyl-4-nitropent-2-enoate tert-Butyl 5-[(3Z)-5-methoxy-2-methyl-2-nitro-5-oxo-3-pentenyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1351824