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1H-Pyrrole-2-carboxylic acid, 5-[[3-(2-methoxy-2-oxoethylidene)-4,4-dimethyl-5-oxo-2-pyrrolidinylidene]methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z,Z)-
SpectraBase Compound ID LlUzuFnidVi
InChI InChI=1S/C21H28N2O5/c1-11-12(2)17(18(25)28-20(3,4)5)22-14(11)10-15-13(9-16(24)27-8)21(6,7)19(26)23-15/h9-10,22H,1-8H3,(H,23,26)/b13-9+,15-10-
InChIKey OOGZIXVGMNUUNW-IJYCUAFPSA-N
Mol Weight 388.46 g/mol
Molecular Formula C21H28N2O5
Exact Mass 388.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ARMVEefyYxx
Name 1H-Pyrrole-2-carboxylic acid, 5-[[3-(2-methoxy-2-oxoethylidene)-4,4-dimethyl-5-oxo-2-pyrrolidinylidene]methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, (Z,Z)-
CAS Registry Number 120350-10-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28N2O5
InChI InChI=1S/C21H28N2O5/c1-11-12(2)17(18(25)28-20(3,4)5)22-14(11)10-15-13(9-16(24)27-8)21(6,7)19(26)23-15/h9-10,22H,1-8H3,(H,23,26)/b13-9+,15-10-
InChIKey OOGZIXVGMNUUNW-IJYCUAFPSA-N
Molecular Weight 388.464 g/mol
SMILES [nH]1c(c(c(c1\C=C/1\C(C(C)(C)C(N1)=O)=C/C(=O)OC)C)C)C(OC(C)(C)C)=O
SPLASH splash10-06si-0069000000-e1a313d2b09ffca8f13c
Source of Spectrum AH-119-980-0
Synonyms (t-butyl) (Z)-2,3-dihydro-3-[(Z)-methoxycarbonylmethylidene]-1-oxo-2,2,7,8-tetramethyldipyrrine-9(10H)-carboxylate tert-Butyl 5-{(Z)-[(3Z)-3-(2-methoxy-2-oxoethylidene)-4,4-dimethyl-5-oxopyrrolidinylidene]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1363817