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3-Benzoyl-5-methylthiamethyl-4,5-dihydroisoxazole
SpectraBase Compound ID 4VuCj68PGGQ
InChI InChI=1S/C12H13NO2S/c1-16-8-10-7-11(13-15-10)12(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey ZDCBJGOXZNKKAO-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 IGQDEvdx2Ey
Name 3-Benzoyl-5-methylthiamethyl-4,5-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO2S
InChI InChI=1S/C12H13NO2S/c1-16-8-10-7-11(13-15-10)12(14)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3
InChIKey ZDCBJGOXZNKKAO-UHFFFAOYSA-N
Molecular Weight 235.301 g/mol
SMILES C1(=NOC(C1)CSC)C(=O)c1ccccc1
SPLASH splash10-0a6r-6900000000-8f675a6e0224d86cdc9f
Source of Spectrum KC-60-1679-6
Synonyms {5-[(methylsulfanyl)methyl]-4,5-dihydro-3-isoxazolyl}(phenyl)methanone
Wiley ID 1583423