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4-phenyl-1,4-dihydro-2,3-benzoxathiine 3-oxide
SpectraBase Compound ID 12wwMwVA3FD
InChI InChI=1S/C14H12O2S/c15-17-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-16-17/h1-9,14H,10H2
InChIKey UKMCMPMPSUULKU-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C14H12O2S
Exact Mass 244.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETBJ4Xpzjd0
Name 4-phenyl-1,4-dihydro-2,3-benzoxathiine 3-oxide
Alternate Name(s) 4-phenyl-1,4-dihydro-2,3$l^{4}-benzoxathiine 3-oxide
CAS Registry Number 95539-08-5
Comments Less than 3 mono-isotopic peaks
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Formula C14H12O2S
InChI InChI=1S/C14H12O2S/c15-17-14(11-6-2-1-3-7-11)13-9-5-4-8-12(13)10-16-17/h1-9,14H,10H2
InChIKey UKMCMPMPSUULKU-UHFFFAOYSA-N
Molecular Weight 244.308 g/mol
SMILES C1(S(OCc2ccccc12)=O)c1ccccc1
SPLASH splash10-0059-0900000000-a7eabbf18a00f5e2f94e
Source of Spectrum I-64-248-9
Wiley ID 1247021