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(Z)-3-Butylthio-2-[hydroxy(4-nitrophenylmethyl)]-1,3-diphenyl-2-propen-1-one
SpectraBase Compound ID 6YrED0EaeCD
InChI InChI=1S/C26H25NO4S/c1-2-3-18-32-26(21-12-8-5-9-13-21)23(24(28)19-10-6-4-7-11-19)25(29)20-14-16-22(17-15-20)27(30)31/h4-17,25,29H,2-3,18H2,1H3/b26-23+
InChIKey IIQYOYLFARJHSV-WNAAXNPUSA-N
Mol Weight 447.55 g/mol
Molecular Formula C26H25NO4S
Exact Mass 447.150429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RpDz7nsKZ4
Name (Z)-3-Butylthio-2-[hydroxy(4-nitrophenylmethyl)]-1,3-diphenyl-2-propen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO4S
InChI InChI=1S/C26H25NO4S/c1-2-3-18-32-26(21-12-8-5-9-13-21)23(24(28)19-10-6-4-7-11-19)25(29)20-14-16-22(17-15-20)27(30)31/h4-17,25,29H,2-3,18H2,1H3/b26-23+
InChIKey IIQYOYLFARJHSV-WNAAXNPUSA-N
Literature Reference DOI 10.1002/cjoc.20040220917
Molecular Weight 447.549 g/mol
SMILES OC(\C(=C/(c1ccccc1)SCCCC)C(=O)c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
SPLASH splash10-0a6r-3901100000-c8c0bcdf1bc338b14484
Source of Spectrum CJC-22-963-4c
Synonyms (Z)-3-(butylthio)-2-(hydroxy(4-nitrophenyl)methyl)-1,3-diphenylprop-2-en-1-one
Wiley ID 1774055