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3-(3,5-Dioxo-3H,5H-1,2,6,7,8-pentathia-4-aza-S-indacen-4-yl)-propionitrile
SpectraBase Compound ID GnRSxaNrcpA
InChI InChI=1S/C9H4N2O2S5/c10-2-1-3-11-4-6(12)15-17-8(4)14-9-5(11)7(13)16-18-9/h1,3H2
InChIKey AOYKPKMFHZRWEQ-UHFFFAOYSA-N
Mol Weight 332.4 g/mol
Molecular Formula C9H4N2O2S5
Exact Mass 331.887633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35JrMx42ylF
Name 3-(3,5-Dioxo-3H,5H-1,2,6,7,8-pentathia-4-aza-S-indacen-4-yl)-propionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H4N2O2S5
InChI InChI=1S/C9H4N2O2S5/c10-2-1-3-11-4-6(12)15-17-8(4)14-9-5(11)7(13)16-18-9/h1,3H2
InChIKey AOYKPKMFHZRWEQ-UHFFFAOYSA-N
Molecular Weight 332.443 g/mol
SMILES C(#N)CCN1C2=C(SC3=C1C(SS3)=O)SSC2=O
SPLASH splash10-01wo-9230000000-7953cfaa616fc60f2cf4
Synonyms 3-(3,5-Dioxo-3H,4H,5H-di[1,2]dithiolo[3,4-b:4,3-e][1,4]thiazin-4-yl)propanenitrile
Wiley ID 1443565