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3-Phenylthiomethyl-5-methoxycarbonylisoxazole
SpectraBase Compound ID HzUDcxPRKNo
InChI InChI=1S/C12H11NO3S/c1-15-12(14)11-7-9(13-16-11)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKey BQZVGXRUZFBUOA-UHFFFAOYSA-N
Mol Weight 249.28 g/mol
Molecular Formula C12H11NO3S
Exact Mass 249.045964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79AfonlGOVw
Name 3-Phenylthiomethyl-5-methoxycarbonylisoxazole
Alternate Name(s) Methyl 3-[(phenylsulfanyl)methyl]-5-isoxazolecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO3S
InChI InChI=1S/C12H11NO3S/c1-15-12(14)11-7-9(13-16-11)8-17-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKey BQZVGXRUZFBUOA-UHFFFAOYSA-N
Molecular Weight 249.284 g/mol
SMILES c1(cc(CSc2ccccc2)no1)C(=O)OC
SPLASH splash10-054p-6910000000-bba993fe3b39ad888a49
Source of Spectrum AJ-61-3978-7
Wiley ID 1252033