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2,2'-Thiodibenzonitrile, 4,4'-dinitro-
SpectraBase Compound ID 6QskHm8k4kA
InChI InChI=1S/C14H6N4O4S/c15-7-9-5-11(17(19)20)1-3-13(9)23-14-4-2-12(18(21)22)6-10(14)8-16/h1-6H
InChIKey KECFVFYQNDZHKT-UHFFFAOYSA-N
Mol Weight 326.29 g/mol
Molecular Formula C14H6N4O4S
Exact Mass 326.010976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tmHgMFAZJo
Name 2,2'-Thiodibenzonitrile, 4,4'-dinitro-
Alternate Name(s) 2-(2-cyano-4-nitro-phenyl)sulfanyl-5-nitro-benzenecarbonitrile 2-[(2-cyano-4-nitro-phenyl)thio]-5-nitro-benzonitrile 2-[(2-cyano-4-nitrophenyl)thio]-5-nitrobenzonitrile 2-(2-cyano-4-nitrophenyl)sulfanyl-5-nitrobenzonitrile
CAS Registry Number 65369-92-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H6N4O4S
InChI InChI=1S/C14H6N4O4S/c15-7-9-5-11(17(19)20)1-3-13(9)23-14-4-2-12(18(21)22)6-10(14)8-16/h1-6H
InChIKey KECFVFYQNDZHKT-UHFFFAOYSA-N
Molecular Weight 326.286 g/mol
SMILES c1c(c(ccc1N(=O)=O)Sc1c(cc(cc1)N(=O)=O)C#N)C#N
SPLASH splash10-0059-9453000000-ff6f3c64d51871f9043e
Source of Spectrum AD-0-2532-0
Wiley ID 1427742