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5-(4-METHOXYPHENYL)-3-OXA-9-THIA-4-AZATRICYCLO-[5.3.0.0-(2.6)]-DEC-4-ENE_9,9-DIOXIDE
SpectraBase Compound ID 2X2CJFnR6bf
InChI InChI=1S/C14H15NO4S/c1-18-9-4-2-8(3-5-9)13-12-10-6-20(16,17)7-11(10)14(12)19-15-13/h2-5,10-12,14H,6-7H2,1H3
InChIKey XQQZUGBIULMHJE-UHFFFAOYSA-N
Mol Weight 293.34 g/mol
Molecular Formula C14H15NO4S
Exact Mass 293.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LxCsF2eRRb
Name 5-(4-Methoxyphenyl)-3-oxa-9-thia-4-azatricyclo[5.3.0.0(2,6)]dec-4-ene 9,9-dioxide
Alternate Name(s) 3-(4-methoxyphenyl)-3a,3b,4,6,6a,6b-hexahydrothieno[3',4':3,4]cyclobuta[1,2-d]isoxazole 5,5-dioxide 4-(5,5-dioxido-3a,3b,4,6,6a,6b-hexahydrothieno[3',4':3,4]cyclobuta[1,2-d]isoxazol-3-yl)phenyl methyl ether
Comments Less than 3 mono-isotopic peaks
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Formula C14H15NO4S
InChI InChI=1S/C14H15NO4S/c1-18-9-4-2-8(3-5-9)13-12-10-6-20(16,17)7-11(10)14(12)19-15-13/h2-5,10-12,14H,6-7H2,1H3
InChIKey XQQZUGBIULMHJE-UHFFFAOYSA-N
Molecular Weight 293.337 g/mol
SMILES C1S(CC2C3C(=NOC3C12)c1ccc(cc1)OC)(=O)=O
SPLASH splash10-004i-0930000000-133d024fa19db7bd6eb2
Source of Spectrum KC-0-610-21
Wiley ID 827518