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3-(1-phenylthiopropyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
SpectraBase Compound ID 1SI89hWv0XG
InChI InChI=1S/C13H15NO3S/c1-2-12(18-9-6-4-3-5-7-9)10-8-11(13(15)16)17-14-10/h3-7,11-12H,2,8H2,1H3,(H,15,16)
InChIKey JPNZOINIEUBRSU-UHFFFAOYSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEsPK0iMk0w
Name 3-(1-phenylthiopropyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
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Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c1-2-12(18-9-6-4-3-5-7-9)10-8-11(13(15)16)17-14-10/h3-7,11-12H,2,8H2,1H3,(H,15,16)
InChIKey JPNZOINIEUBRSU-UHFFFAOYSA-N
Molecular Weight 265.327 g/mol
SMILES OC(C1ON=C(C1)C(Sc1ccccc1)CC)=O
SPLASH splash10-07bf-8920000000-e5dcce52ed84af6bdd1b
Source of Spectrum AJ-61-3980-12
Synonyms 3-[1-(phenylsulfanyl)propyl]-4,5-dihydro-5-isoxazolecarboxylic acid
Wiley ID 1268832