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3-(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)-2,3-dihydro-2-oxo-1,4-naphthoquinone
SpectraBase Compound ID DJMdtQIFKyM
InChI InChI=1S/C12H4ClNO3S2/c13-12-11(18-19-14-12)7-8(15)5-3-1-2-4-6(5)9(16)10(7)17/h1-4H/b11-7-
InChIKey BKEOOWNUWQAHQM-XFFZJAGNSA-N
Mol Weight 309.74 g/mol
Molecular Formula C12H4ClNO3S2
Exact Mass 308.932113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bmtr0nh5UXR
Name 3-(4-Chloro-5H-1,2,3-dithiazol-5-ylidene)-2,3-dihydro-2-oxo-1,4-naphthoquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H4ClNO3S2
InChI InChI=1S/C12H4ClNO3S2/c13-12-11(18-19-14-12)7-8(15)5-3-1-2-4-6(5)9(16)10(7)17/h1-4H/b11-7-
InChIKey BKEOOWNUWQAHQM-XFFZJAGNSA-N
Molecular Weight 309.741 g/mol
SMILES C=1(\C(=C\2C(C(=O)c3c(C2=O)cccc3)=O)SSN1)Cl
SPLASH splash10-001i-1492000000-e3fe07aaec45f04097c5
Source of Spectrum F-55-9657-20
Synonyms (3Z)-3-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-1,2,4(3H)-naphthalenetrione
Wiley ID 838818