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5-[(4-Chlorophenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID 6Tx4gtD3LVa
InChI InChI=1S/C18H12ClNOS/c19-13-9-11-14(12-10-13)20-22(21)17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12H
InChIKey NNHWSOSSCABULX-UHFFFAOYSA-N
Mol Weight 325.81 g/mol
Molecular Formula C18H12ClNOS
Exact Mass 325.032813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H7LtoJlPiZ
Name 5-[(4-Chlorophenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 325.032812883 u
Formula C18H12ClNOS
InChI InChI=1S/C18H12ClNOS/c19-13-9-11-14(12-10-13)20-22(21)17-7-3-1-5-15(17)16-6-2-4-8-18(16)22/h1-12H
InChIKey NNHWSOSSCABULX-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 325.813 g/mol
Quality 87
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=CC=C(C=C1)Cl)=O
SPLASH splash10-004i-0219000000-973d67986b94abe62080
Source of Spectrum ACI-56-SM7-1k (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.76 (pentane/EtOAc, 2:1)
Wiley ID 1896215