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[5-(5-Chloro-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-yl]-[5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester

View entire compound with spectra: 2 MS (GC)

[5-(5-Chloro-3,4-dimethyl-1H-pyrrol-2-ylmethylene)-3,4-dimethyl-5H-pyrrol-2-yl]-[5-(5-cyano-4,4,5-trimethyl-4,5-dihydro-3H-pyrrol-2-ylmethylene)-4,4-dimethylpyrrolidin-2-ylene]-acetic acid, tert.-butyl ester
SpectraBase Compound ID 1soL9vAEoMl
InChI InChI=1S/C34H44ClN5O2/c1-18-20(3)28(38-23(18)14-24-19(2)21(4)29(35)39-24)27(30(41)42-31(5,6)7)25-16-32(8,9)26(37-25)13-22-15-33(10,11)34(12,17-36)40-22/h13-14,37,39H,15-16H2,1-12H3/b23-14-,26-13-,27-25+
InChIKey FXDUIVFWOIZHNP-XUTHQOEUSA-N
Mol Weight 590.2 g/mol
Molecular Formula C34H44ClN5O2
Exact Mass 589.318353 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pSkzD0Lz39
Name [5-(5-CHLORO-3,4-DIMETHYL-1H-PYRROL-2-YLMETHYLENE)-3,4-DIMETHYL-5H-PYRROL-2-YL]-[5-(5-CYANO-4,4,5-TRIMETHYL-4,5-DIHYDRO-3H-PYRROL-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C34H44N5O2Cl
InChI InChI=1S/C34H44ClN5O2/c1-18-20(3)28(38-23(18)14-24-19(2)21(4)29(35)39-24)27(30(41)42-31(5,6)7)25-16-32(8,9)26(37-25)13-22-15-33(10,11)34(12,17-36)40-22/h13-14,37,39H,15-16H2,1-12H3/b23-14-,26-13-,27-25+
InChIKey FXDUIVFWOIZHNP-XUTHQOEUSA-N
Molecular Weight 589.3174
SMILES [nH]1c(\C=C\2C(=C(C(\C(=C/3CC(C)(C)\C(N3)=C/C=3CC(C)(C(C#N)(C)N3)C)C(=O)OC(C)(C)C)=N2)C)C)c(C)c(C)c1Cl
SPLASH splash10-03dr-2022920000-116a85bb8f197ad7f0e0
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany