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3-(1-phenylthioethyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
SpectraBase Compound ID 1zmo38zKJAH
InChI InChI=1S/C12H13NO3S/c1-8(17-9-5-3-2-4-6-9)10-7-11(12(14)15)16-13-10/h2-6,8,11H,7H2,1H3,(H,14,15)
InChIKey PJFDHROOUCPSNS-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 AiHLdeRuIhO
Name 3-(1-phenylthioethyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-8(17-9-5-3-2-4-6-9)10-7-11(12(14)15)16-13-10/h2-6,8,11H,7H2,1H3,(H,14,15)
InChIKey PJFDHROOUCPSNS-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES OC(C1ON=C(C1)C(Sc1ccccc1)C)=O
SPLASH splash10-03di-5900000000-158809c231aa399a918a
Source of Spectrum AJ-61-3980-12
Synonyms 3-[1-(phenylsulfanyl)ethyl]-4,5-dihydro-5-isoxazolecarboxylic acid
Wiley ID 1254380