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5-PHENYL-3-OXA-9-THIA-4-AZATRICYCLO-[5.3.0.0-(2.6)]-DEC-4-ENE_9,9-DIOXIDE
SpectraBase Compound ID HHIsQElwuqR
InChI InChI=1S/C13H13NO3S/c15-18(16)6-9-10(7-18)13-11(9)12(14-17-13)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2
InChIKey JKHPUTFUIXCXEW-UHFFFAOYSA-N
Mol Weight 263.31 g/mol
Molecular Formula C13H13NO3S
Exact Mass 263.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HO5vL026Kf0
Name 5-Phenyl-3-oxa-4-azatricyclo[5.3.0.0(2,6)]dec-4-ene 9,9-dioxide
Alternate Name(s) 3-Phenyl-3a,3b,4,6,6a,6b-hexahydrothieno[3',4':3,4]cyclobuta[1,2-d]isoxazole 5,5-dioxide
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Formula C13H13NO3S
InChI InChI=1S/C13H13NO3S/c15-18(16)6-9-10(7-18)13-11(9)12(14-17-13)8-4-2-1-3-5-8/h1-5,9-11,13H,6-7H2
InChIKey JKHPUTFUIXCXEW-UHFFFAOYSA-N
Molecular Weight 263.311 g/mol
SMILES C1S(CC2C3C(=NOC3C12)c1ccccc1)(=O)=O
SPLASH splash10-0005-1900000000-a5bfb66f58cb80fa3967
Source of Spectrum KC-0-610-20
Wiley ID 827519