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Isoxazole, 3-phenyl-5-[(phenylmethyl)thio]-
SpectraBase Compound ID GbqtecBMCp7
InChI InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey TZGSQRNPJUQWND-UHFFFAOYSA-N
Mol Weight 267.35 g/mol
Molecular Formula C16H13NOS
Exact Mass 267.071785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K78m7bO3Z7k
Name Isoxazole, 3-phenyl-5-[(phenylmethyl)thio]-
CAS Registry Number 28884-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NOS
InChI InChI=1S/C16H13NOS/c1-3-7-13(8-4-1)12-19-16-11-15(17-18-16)14-9-5-2-6-10-14/h1-11H,12H2
InChIKey TZGSQRNPJUQWND-UHFFFAOYSA-N
Molecular Weight 267.346 g/mol
SMILES c1ccc(cc1)CSc1cc(-c2ccccc2)no1
SPLASH splash10-0006-9420000000-8750ac08fd7e2e989e2b
Source of Spectrum O-5-130-8
Synonyms 5-(Benzylsulfanyl)-3-phenylisoxazole 3-Phenyl-5-(phenylmethylsulfanyl)-1,2-oxazole 3-Phenyl-5-(phenylmethylthio)isoxazole 5-(benzylthio)-3-phenyl-isoxazole 5-Benzylsulfanyl-3-phenyl-1,2-oxazole Isoxazole, 5-(benzylthio)-3-phenyl-
Wiley ID 1271231