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3-(1-phenylthio-2,3-di(methoxycarbonyl)propyl)-5-phenyl-4,5-dihydroisoxazole
SpectraBase Compound ID LaG3C6yNJlM
InChI InChI=1S/C22H23NO5S/c1-26-20(24)13-17(22(25)27-2)21(29-16-11-7-4-8-12-16)18-14-19(28-23-18)15-9-5-3-6-10-15/h3-12,17,19,21H,13-14H2,1-2H3
InChIKey QOXOVCGYLBTJMK-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4jeDBnYGLH3
Name 3-(1-phenylthio-2,3-di(methoxycarbonyl)propyl)-5-phenyl-4,5-dihydroisoxazole
Alternate Name(s) Dimethyl 2-[(5-phenyl-4,5-dihydro-3-isoxazolyl)(phenylsulfanyl)methyl]succinate
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Formula C22H23NO5S
InChI InChI=1S/C22H23NO5S/c1-26-20(24)13-17(22(25)27-2)21(29-16-11-7-4-8-12-16)18-14-19(28-23-18)15-9-5-3-6-10-15/h3-12,17,19,21H,13-14H2,1-2H3
InChIKey QOXOVCGYLBTJMK-UHFFFAOYSA-N
Molecular Weight 413.488 g/mol
SMILES C1(=NOC(C1)c1ccccc1)C(C(C(=O)OC)CC(=O)OC)Sc1ccccc1
SPLASH splash10-0pb9-1900000000-106752284753489fdd87
Source of Spectrum AJ-61-3979-9
Wiley ID 1374996