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(E)-2-(6-chlorohexyl)-5-(2-nitro-3-(2-phenethyl-1,3-dioxolan-2-yl)prop-1-enyl)-1H-pyrrole
SpectraBase Compound ID 1zXZdKtFwCF
InChI InChI=1S/C24H31ClN2O4/c25-15-7-2-1-6-10-21-11-12-22(26-21)18-23(27(28)29)19-24(30-16-17-31-24)14-13-20-8-4-3-5-9-20/h3-5,8-9,11-12,18,26H,1-2,6-7,10,13-17,19H2/b23-18+
InChIKey YAUKSAVZYOXBCJ-PTGBLXJZSA-N
Mol Weight 446.98 g/mol
Molecular Formula C24H31ClN2O4
Exact Mass 446.197235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQal5vnNfkL
Name (E)-2-(6-chlorohexyl)-5-(2-nitro-3-(2-phenethyl-1,3-dioxolan-2-yl)prop-1-enyl)-1H-pyrrole
Alternate Name(s) (E)-2-(6-chlorohexyl)-5-(2-nitro-3-(2-phenethyl-1,3-dioxolan-2-yl)prop-1-en-1-yl)-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31ClN2O4
InChI InChI=1S/C24H31ClN2O4/c25-15-7-2-1-6-10-21-11-12-22(26-21)18-23(27(28)29)19-24(30-16-17-31-24)14-13-20-8-4-3-5-9-20/h3-5,8-9,11-12,18,26H,1-2,6-7,10,13-17,19H2/b23-18+
InChIKey YAUKSAVZYOXBCJ-PTGBLXJZSA-N
Literature Reference DOI 10.1002/adsc.201700790
Molecular Weight 446.975 g/mol
SMILES [nH]1c(ccc1CCCCCCCl)\C=C/([N+](=O)[O-])CC1(CCc2ccccc2)OCCO1
SPLASH splash10-01tc-6900000000-5872c3c97ef4a20325f0
Source of Spectrum ASC-359-3411-3g
Wiley ID 1807707