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(E)-2-(2-nitro-3-(2-p-tolyl-1,3-dioxolan-2-yl)prop-1-enyl)-5-(4-phenylbutyl)-1H-pyrrole
SpectraBase Compound ID 7PVD6OFQr7a
InChI InChI=1S/C27H30N2O4/c1-21-11-13-23(14-12-21)27(32-17-18-33-27)20-26(29(30)31)19-25-16-15-24(28-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-16,19,28H,5-6,9-10,17-18,20H2,1H3/b26-19+
InChIKey ACOGOOOMPCMXAO-LGUFXXKBSA-N
Mol Weight 446.55 g/mol
Molecular Formula C27H30N2O4
Exact Mass 446.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Hus9ofZAvO
Name (E)-2-(2-nitro-3-(2-p-tolyl-1,3-dioxolan-2-yl)prop-1-enyl)-5-(4-phenylbutyl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30N2O4
InChI InChI=1S/C27H30N2O4/c1-21-11-13-23(14-12-21)27(32-17-18-33-27)20-26(29(30)31)19-25-16-15-24(28-25)10-6-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-16,19,28H,5-6,9-10,17-18,20H2,1H3/b26-19+
InChIKey ACOGOOOMPCMXAO-LGUFXXKBSA-N
Molecular Weight 446.547 g/mol
SMILES [nH]1c(ccc1CCCCc1ccccc1)\C=C/([N+](=O)[O-])CC1(c2ccc(cc2)C)OCCO1
SPLASH splash10-03di-1900000000-db492b09d688d4634bd9
Source of Spectrum ASC-359-3411-3f
Synonyms (E)-2-(2-nitro-3-(2-(p-tolyl)-1,3-dioxolan-2-yl)prop-1-en-1-yl)-5-(4-phenylbutyl)-1H-pyrrole
Wiley ID 1807706