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3-(1-phenylthio-2-methyl-3-methoxycarbonylpropyl)-5-phenyl-4,5-dihydroisoxazole

View entire compound with spectra: 1 MS (GC)

3-(1-phenylthio-2-methyl-3-methoxycarbonylpropyl)-5-phenyl-4,5-dihydroisoxazole
SpectraBase Compound ID FuClTBDbS7D
InChI InChI=1S/C21H23NO3S/c1-15(13-20(23)24-2)21(26-17-11-7-4-8-12-17)18-14-19(25-22-18)16-9-5-3-6-10-16/h3-12,15,19,21H,13-14H2,1-2H3
InChIKey WPXXSDLYJCFQIN-UHFFFAOYSA-N
Mol Weight 369.48 g/mol
Molecular Formula C21H23NO3S
Exact Mass 369.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GszMNDIgnsx
Name 3-(1-phenylthio-2-methyl-3-methoxycarbonylpropyl)-5-phenyl-4,5-dihydroisoxazole
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Formula C21H23NO3S
InChI InChI=1S/C21H23NO3S/c1-15(13-20(23)24-2)21(26-17-11-7-4-8-12-17)18-14-19(25-22-18)16-9-5-3-6-10-16/h3-12,15,19,21H,13-14H2,1-2H3
InChIKey WPXXSDLYJCFQIN-UHFFFAOYSA-N
Molecular Weight 369.479 g/mol
SMILES C1(=NOC(C1)c1ccccc1)C(Sc1ccccc1)C(CC(=O)OC)C
SPLASH splash10-02vi-9855000000-b8670fdbabbca438b3c5
Source of Spectrum AJ-61-3979-9
Synonyms Methyl 3-methyl-4-(5-phenyl-4,5-dihydro-3-isoxazolyl)-4-(phenylsulfanyl)butanoate
Wiley ID 1353676