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5-[(3,5-Dimethylphenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID Ky0EA4168pE
InChI InChI=1S/C20H17NOS/c1-14-11-15(2)13-16(12-14)21-23(22)19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-13H,1-2H3
InChIKey OKACCNNHQWIQQD-UHFFFAOYSA-N
Mol Weight 319.42 g/mol
Molecular Formula C20H17NOS
Exact Mass 319.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8U5qIqMsd9K
Name 5-[(3,5-Dimethylphenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 319.103085344 u
Formula C20H17NOS
InChI InChI=1S/C20H17NOS/c1-14-11-15(2)13-16(12-14)21-23(22)19-9-5-3-7-17(19)18-8-4-6-10-20(18)23/h3-13H,1-2H3
InChIKey OKACCNNHQWIQQD-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 319.422 g/mol
Quality 87
Reported Formula C20H17ONS
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=CC(=CC(=C1)C)C)=O
SPLASH splash10-00yi-0659000000-155dc48574a74d1df036
Source of Spectrum ACI-56-SM5-1e (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.72 (pentane/EtOAc, 2:1)
Wiley ID 1896209