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5-[(2-Nitrophenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
SpectraBase Compound ID 5n7JWM9OyvJ
InChI InChI=1S/C18H12N2O3S/c21-20(22)16-10-4-3-9-15(16)19-24(23)17-11-5-1-7-13(17)14-8-2-6-12-18(14)24/h1-12H
InChIKey TWVJNWKWPAICRC-UHFFFAOYSA-N
Mol Weight 336.37 g/mol
Molecular Formula C18H12N2O3S
Exact Mass 336.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dgc2ijCfdf0
Name 5-[(2-Nitrophenyl)imino]-5H-5.gamma.4-dibenzo[b,d]thiophene 5-oxide
Appearance Pale yellow solid
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Exact Mass 336.056863425 u
Formula C18H12N2O3S
InChI InChI=1S/C18H12N2O3S/c21-20(22)16-10-4-3-9-15(16)19-24(23)17-11-5-1-7-13(17)14-8-2-6-12-18(14)24/h1-12H
InChIKey TWVJNWKWPAICRC-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201705025
Molecular Weight 336.365 g/mol
Quality 73
Reported Formula C18H13O3N2S
SMILES C1=2S(C3=C(C2C=CC=C1)C=CC=C3)(=NC1=C(C=CC=C1)[N+]([O-])=O)=O
SPLASH splash10-0079-0978000000-16e662b5f9ab547d580f
Source of Spectrum ACI-56-SM7-1n (DOI: 10.1002/anie.201705025)
Thin-Layer Chromatography 0.60 (pentane/EtOAc, 2:1)
Wiley ID 1896218