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3-Phenylthiomethyl-5-acetyl-4,5-dihydroisoxazole
SpectraBase Compound ID 3UcZIkW2O9w
InChI InChI=1S/C12H13NO2S/c1-9(14)12-7-10(13-15-12)8-16-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3
InChIKey AASRSEMNRUDSOH-UHFFFAOYSA-N
Mol Weight 235.3 g/mol
Molecular Formula C12H13NO2S
Exact Mass 235.0667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tWwfxANzB2
Name 3-Phenylthiomethyl-5-acetyl-4,5-dihydroisoxazole
Alternate Name(s) 1-{3-[(phenylsulfanyl)methyl]-4,5-dihydro-5-isoxazolyl}ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-9(14)12-7-10(13-15-12)8-16-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3
InChIKey AASRSEMNRUDSOH-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C1(ON=C(C1)CSc1ccccc1)C(=O)C
SPLASH splash10-006x-9300000000-23f5d4c1f0199afbb00e
Source of Spectrum AJ-61-3977-6
Wiley ID 1236980