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5-[(3-(Benzyloxy)phenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID GaVgKKZ8Ni3
InChI InChI=1S/C25H19NO2S/c27-29(24-15-6-4-13-22(24)23-14-5-7-16-25(23)29)26-20-11-8-12-21(17-20)28-18-19-9-2-1-3-10-19/h1-17H,18H2
InChIKey CPLOMUXVWBZRRY-UHFFFAOYSA-N
Mol Weight 397.49 g/mol
Molecular Formula C25H19NO2S
Exact Mass 397.11365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E8awTGFMejl
Name 5-[(3-(Benzyloxy)phenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 397.113650028 u
Formula C25H19NO2S
InChI InChI=1S/C25H19NO2S/c27-29(24-15-6-4-13-22(24)23-14-5-7-16-25(23)29)26-20-11-8-12-21(17-20)28-18-19-9-2-1-3-10-19/h1-17H,18H2
InChIKey CPLOMUXVWBZRRY-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 397.492 g/mol
Quality 99
Reported Formula C25H19O2NS
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=CC=CC(=C1)OCC1=CC=CC=C1)=O
SPLASH splash10-0006-9502000000-94150c8907ef0685bbb6
Source of Spectrum ACI-56-SM6-1h (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.73 (pentane/EtOAc, 2:1)
Wiley ID 1896212