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2-(1-cyclohexenyl)-1-methyl-4-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrrole
SpectraBase Compound ID KeGxgWpEXIf
InChI InChI=1S/C21H22N2O2/c1-22-16-20(23(24)25)19(21(22)18-13-6-3-7-14-18)15-9-8-12-17-10-4-2-5-11-17/h2,4-5,8-13,15-16H,3,6-7,14H2,1H3/b12-8+,15-9+
InChIKey WDPQFYRZIHWGBE-NVXXTVOZSA-N
Mol Weight 334.42 g/mol
Molecular Formula C21H22N2O2
Exact Mass 334.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ee13DERPM8U
Name 2-(1-cyclohexenyl)-1-methyl-4-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22N2O2
InChI InChI=1S/C21H22N2O2/c1-22-16-20(23(24)25)19(21(22)18-13-6-3-7-14-18)15-9-8-12-17-10-4-2-5-11-17/h2,4-5,8-13,15-16H,3,6-7,14H2,1H3/b12-8+,15-9+
InChIKey WDPQFYRZIHWGBE-NVXXTVOZSA-N
Molecular Weight 334.419 g/mol
SMILES c1(c(c(C2=CCCCC2)[n](c1)C)\C=C\C=C\c1ccccc1)N(=O)=O
SPLASH splash10-001i-2119000000-e8f507f16e4c2733c5a4
Source of Spectrum SO-0-875-11
Synonyms 2-(cyclohexen-1-yl)-1-methyl-4-nitro-3-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyrrole
Wiley ID 873848