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(E)-2-(Cyclohex-1-enyl)-4-Nitro-3-(2-phenylethenyl)-1-tosylpyrrole
SpectraBase Compound ID 49Pflbu6z1G
InChI InChI=1S/C25H24N2O4S/c1-19-12-15-22(16-13-19)32(30,31)26-18-24(27(28)29)23(17-14-20-8-4-2-5-9-20)25(26)21-10-6-3-7-11-21/h2,4-5,8-10,12-18H,3,6-7,11H2,1H3/b17-14+
InChIKey YDQXTXPRUSLQTI-SAPNQHFASA-N
Mol Weight 448.54 g/mol
Molecular Formula C25H24N2O4S
Exact Mass 448.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyrlziIKY4k
Name (E)-2-(Cyclohex-1-enyl)-4-Nitro-3-(2-phenylethenyl)-1-tosylpyrrole
Alternate Name(s) 2-(1-cyclohexen-1-yl)-1-[(4-methylphenyl)sulfonyl]-4-nitro-3-[(E)-2-phenylethenyl]-1H-pyrrole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H24N2O4S
InChI InChI=1S/C25H24N2O4S/c1-19-12-15-22(16-13-19)32(30,31)26-18-24(27(28)29)23(17-14-20-8-4-2-5-9-20)25(26)21-10-6-3-7-11-21/h2,4-5,8-10,12-18H,3,6-7,11H2,1H3/b17-14+
InChIKey YDQXTXPRUSLQTI-SAPNQHFASA-N
Molecular Weight 448.537 g/mol
SMILES c1(S([n]2c(c(\C=C\c3ccccc3)c(c2)N(=O)=O)C2=CCCCC2)(=O)=O)ccc(cc1)C
SPLASH splash10-002f-9130200000-7124ad6439efdb5e7b94
Source of Spectrum SO-0-876-8
Wiley ID 873844