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1-Nitro-4-[(2'-nitrophenyl)thio]cyclooctatetraene
SpectraBase Compound ID HcoKRJ3LPys
InChI InChI=1S/C14H10N2O4S/c17-15(18)11-5-1-2-6-12(10-9-11)21-14-8-4-3-7-13(14)16(19)20/h1-10H/b2-1-,5-1-,6-2-,10-9-,11-5+,11-9+,12-6+,12-10+
InChIKey NKJOBHXUKOSMRK-OVGFWKQWSA-N
Mol Weight 302.3 g/mol
Molecular Formula C14H10N2O4S
Exact Mass 302.036128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PWGXUJnFM4
Name 1-Nitro-4-[(2'-nitrophenyl)thio]cyclooctatetraene
Alternate Name(s) 1-Nitro-4-[(2-nitrophenyl)sulfanyl]-1,3,5,7-cyclooctatetraene 4-Nitro-1,3,5,7-cyclooctatetraenyl 2-nitrophenyl sulfide
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Formula C14H10N2O4S
InChI InChI=1S/C14H10N2O4S/c17-15(18)11-5-1-2-6-12(10-9-11)21-14-8-4-3-7-13(14)16(19)20/h1-10H/b2-1-,5-1-,6-2-,10-9-,11-5+,11-9+,12-6+,12-10+
InChIKey NKJOBHXUKOSMRK-OVGFWKQWSA-N
Molecular Weight 302.304 g/mol
SMILES c1(N(=O)=O)c(S\C2=C/C=C\(N(=O)=O)\C=C/C=C\2)cccc1
SPLASH splash10-0k9i-3940000000-7981093a1b895144049e
Source of Spectrum F9-1986-2592-0
Wiley ID 1565757