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3-(1-phenylthio-6-acetylhexyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
SpectraBase Compound ID 6EB0gm1uP9E
InChI InChI=1S/C18H23NO4S/c1-13(20)8-4-2-7-11-17(24-14-9-5-3-6-10-14)15-12-16(18(21)22)23-19-15/h3,5-6,9-10,16-17H,2,4,7-8,11-12H2,1H3,(H,21,22)
InChIKey LOQJAOPPZCBVSY-UHFFFAOYSA-N
Mol Weight 349.45 g/mol
Molecular Formula C18H23NO4S
Exact Mass 349.134779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFQzWpEL0BN
Name 3-(1-phenylthio-6-acetylhexyl)-5-hydroxycarbonyl-4,5-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4S
InChI InChI=1S/C18H23NO4S/c1-13(20)8-4-2-7-11-17(24-14-9-5-3-6-10-14)15-12-16(18(21)22)23-19-15/h3,5-6,9-10,16-17H,2,4,7-8,11-12H2,1H3,(H,21,22)
InChIKey LOQJAOPPZCBVSY-UHFFFAOYSA-N
Molecular Weight 349.445 g/mol
SMILES OC(C1ON=C(C1)C(Sc1ccccc1)CCCCCC(=O)C)=O
SPLASH splash10-0udi-7901000000-74e9ad6935f81d305a3c
Source of Spectrum AJ-61-3980-12
Synonyms 3-[7-oxo-1-(phenylsulfanyl)octyl]-4,5-dihydro-5-isoxazolecarboxylic acid
Wiley ID 1341320