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bis(4-nitrobenzyl)sulfide
SpectraBase Compound ID BwQQVals2Qk
InChI InChI=1S/C14H12N2O4S/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
InChIKey GBXDBWABBXCMOL-UHFFFAOYSA-N
Mol Weight 304.32 g/mol
Molecular Formula C14H12N2O4S
Exact Mass 304.051778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ChVRv963Ihl
Name bis(4-nitrobenzyl)sulfide
Appearance Colourless solid
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Exact Mass 304.051778044 u
Formula C14H12N2O4S
InChI InChI=1S/C14H12N2O4S/c17-15(18)13-5-1-11(2-6-13)9-21-10-12-3-7-14(8-4-12)16(19)20/h1-8H,9-10H2
InChIKey GBXDBWABBXCMOL-UHFFFAOYSA-N
Instrument Name JEOL AccuTOF GCx
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/ejoc.202201383
Molecular Weight 304.320 g/mol
Quality 207
SMILES C1(=CC=C(C=C1)CSCC1=CC=C(C=C1)[N+]([O-])=O)[N+]([O-])=O
SPLASH splash10-000i-5902000000-ab2701e1f9bbff799168
Source of Spectrum K1-26-SM18-2g (DOI: 10.1002/ejoc.202201383)
Thin-Layer Chromatography 0.59 (SiO2, toluene)
Wiley ID 1910523