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(4E)-4-(4-Chlorobenzylidene)-2-(isopropylsulfanyl)-1,3-oxazol-5(4H)-one
SpectraBase Compound ID X3pzS6MsN
InChI InChI=1S/C13H12ClNO2S/c1-8(2)18-13-15-11(12(16)17-13)7-9-3-5-10(14)6-4-9/h3-8H,1-2H3/b11-7+
InChIKey CXSLLNTYXVZDNP-YRNVUSSQSA-N
Mol Weight 281.76 g/mol
Molecular Formula C13H12ClNO2S
Exact Mass 281.027728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3dVYhwO0rg
Name (4E)-4-(4-Chlorobenzylidene)-2-(isopropylsulfanyl)-1,3-oxazol-5(4H)-one
CAS Registry Number 329762-44-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClNO2S
InChI InChI=1S/C13H12ClNO2S/c1-8(2)18-13-15-11(12(16)17-13)7-9-3-5-10(14)6-4-9/h3-8H,1-2H3/b11-7+
InChIKey CXSLLNTYXVZDNP-YRNVUSSQSA-N
Molecular Weight 281.757 g/mol
SMILES C=1(OC(=O)\C(N1)=C/c1ccc(cc1)Cl)SC(C)C
SPLASH splash10-0udl-9820000000-bae75238b4a29e176721
Source of Spectrum AD-0-2532-0
Synonyms (4E)-4-(4-chlorobenzylidene)-2-(isopropylthio)-2-oxazolin-5-one (4E)-4-[(4-chlorophenyl)methylene]-2-isopropylsulfanyl-oxazol-5-one (4E)-4-[(4-chlorophenyl)methylidene]-2-(propan-2-ylthio)-5-oxazolone (4E)-4-[(4-chlorophenyl)methylidene]-2-propan-2-ylsulfanyl-1,3-oxazol-5-one 5(4H)-Oxazolone, 4-[(4-chlobenzylidene]-2-[(1-methylethyl)thio]-
Wiley ID 1428359