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1-Nitro-4-[(4'-nitrophenyl)thio]cyclooctatetraene
SpectraBase Compound ID 6yV3GzSubyb
InChI InChI=1S/C14H10N2O4S/c17-15(18)11-3-1-2-4-13(8-5-11)21-14-9-6-12(7-10-14)16(19)20/h1-10H/b2-1-,3-1-,4-2-,8-5-,11-3+,11-5+,13-4+,13-8+
InChIKey JEWWKQDXQHBNAH-KIHQEZTCSA-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 G5U61JPdOT5
Name 1-Nitro-4-[(4'-nitrophenyl)thio]cyclooctatetraene
Alternate Name(s) 1-Nitro-4-[(4-nitrophenyl)sulfanyl]-1,3,5,7-cyclooctatetraene 4-Nitro-1,3,5,7-cyclooctatetraenyl 4-nitrophenyl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H10N2O4S
InChI InChI=1S/C14H10N2O4S/c17-15(18)11-3-1-2-4-13(8-5-11)21-14-9-6-12(7-10-14)16(19)20/h1-10H/b2-1-,3-1-,4-2-,8-5-,11-3+,11-5+,13-4+,13-8+
InChIKey JEWWKQDXQHBNAH-KIHQEZTCSA-N
Molecular Weight 302.304 g/mol
SMILES c1(S\C2=C/C=C\(\C=C/C=C\2)N(=O)=O)ccc(cc1)N(=O)=O
SPLASH splash10-0zfr-2960000000-9741d942003d9cef5c0e
Source of Spectrum F9-1986-2592-0
Wiley ID 1565756