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1,3-Benzodithiole, 5-nitro-2-(phenylmethylene)-
SpectraBase Compound ID 3DfWh0W9J1n
InChI InChI=1S/C14H9NO2S2/c16-15(17)11-6-7-12-13(9-11)19-14(18-12)8-10-4-2-1-3-5-10/h1-9H/b14-8+
InChIKey MZCQPNIRPHJAFW-RIYZIHGNSA-N
Mol Weight 287.35 g/mol
Molecular Formula C14H9NO2S2
Exact Mass 287.007471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LKKBezToUkG
Name 1,3-Benzodithiole, 5-nitro-2-(phenylmethylene)-
Alternate Name(s) (2E)-2-benzylidene-5-nitro-1,3-benzodithiole 2-Benzylidene-5-nitro-1,3-benzodithiole
CAS Registry Number 59627-61-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9NO2S2
InChI InChI=1S/C14H9NO2S2/c16-15(17)11-6-7-12-13(9-11)19-14(18-12)8-10-4-2-1-3-5-10/h1-9H/b14-8+
InChIKey MZCQPNIRPHJAFW-RIYZIHGNSA-N
Molecular Weight 287.351 g/mol
SMILES c12S\C(Sc1ccc(c2)N(=O)=O)=C\c1ccccc1
SPLASH splash10-000l-0190000000-039dff4ff93abe2c93a9
Source of Spectrum KC-1976-694-0
Wiley ID 1290686