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2-(4-Methoxyphenyl)benzo[b]thiophene 1,1-dioxide
SpectraBase Compound ID LMvmpQXgt29
InChI InChI=1S/C15H12O3S/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)19(15,16)17/h2-10H,1H3
InChIKey UEOOZQLCZSAHOB-UHFFFAOYSA-N
Mol Weight 272.32 g/mol
Molecular Formula C15H12O3S
Exact Mass 272.050715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3TBtZldrs7Q
Name 2-(4-Methoxyphenyl)benzo[b]thiophene 1,1-dioxide
Appearance Yellow crystalline solid
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Exact Mass 272.050715417 u
Formula C15H12O3S
InChI InChI=1S/C15H12O3S/c1-18-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)19(15,16)17/h2-10H,1H3
InChIKey UEOOZQLCZSAHOB-UHFFFAOYSA-N
Instrument Name GCMSQP2010 SE
Ionization Type EI
Literature Reference DOI 10.1002/anie.201701409
Quality 61
SMILES C1=CC2=C(C=C1)S(C(=C2)C1=CC=C(C=C1)OC)(=O)=O
SPLASH splash10-000i-0920000000-37692e65b0158d731bf3
Source of Spectrum ACI-56-SM10-1f (DOI: 10.1002/anie.201701409)
Thin-Layer Chromatography 0.32 (pentane/EtOAc, 60:40)
Wiley ID 1895769