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3-Phenylthiomethyl-5-acetoxy-4,5-dihydroisoxazole
SpectraBase Compound ID 46MWaNp7QH3
InChI InChI=1S/C12H13NO3S/c1-9(14)15-12-7-10(13-16-12)8-17-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3
InChIKey LPVIRYXDULRIIN-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyQdG0l1mhF
Name 3-Phenylthiomethyl-5-acetoxy-4,5-dihydroisoxazole
Alternate Name(s) 3-[(phenylsulfanyl)methyl]-4,5-dihydro-5-isoxazolyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-9(14)15-12-7-10(13-16-12)8-17-11-5-3-2-4-6-11/h2-6,12H,7-8H2,1H3
InChIKey LPVIRYXDULRIIN-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES C1(ON=C(C1)CSc1ccccc1)OC(=O)C
SPLASH splash10-0006-9630000000-985dafdfac48c0fd11b7
Source of Spectrum AJ-61-3977-6
Wiley ID 1254379