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2-(8-Nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene)malononitrile
SpectraBase Compound ID 3gwhQI2l2NL
InChI InChI=1S/C13H3N3O4S2/c14-4-6(5-15)13-21-10-8-3-7(16(18)19)1-2-9(8)20-12(17)11(10)22-13/h1-3H
InChIKey PXKAGONWXQITGU-UHFFFAOYSA-N
Mol Weight 329.3 g/mol
Molecular Formula C13H3N3O4S2
Exact Mass 328.956498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLtJxIP9HfR
Name 2-(8-Nitro-4-oxo-4H-[1,3]dithiolo[4,5-c]chromen-2-ylidene)malononitrile
CAS Registry Number 135056-17-6
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H3N3O4S2
InChI InChI=1S/C13H3N3O4S2/c14-4-6(5-15)13-21-10-8-3-7(16(18)19)1-2-9(8)20-12(17)11(10)22-13/h1-3H
InChIKey PXKAGONWXQITGU-UHFFFAOYSA-N
Molecular Weight 329.304 g/mol
SMILES C12=C(SC(S2)=C(C#N)C#N)c2cc(N(=O)=O)ccc2OC1=O
SPLASH splash10-004i-2459000000-52d3b5760e47802d30f8
Source of Spectrum AD-0-2532-0
Synonyms 2-(4-keto-8-nitro-[1,3]dithiolo[4,5-c]chromen-2-ylidene)malononitrile 2-(8-nitro-4-oxidanylidene-[1,3]dithiolo[4,5-c]chromen-2-ylidene)propanedinitrile 2-(8-nitro-4-oxo-[1,3]dithiolo[4,5-c]chromen-2-ylidene)propanedinitrile 2-(8-nitro-4-oxo-[1,3]dithiolo[4,5-c][1]benzopyran-2-ylidene)propanedinitrile 2H-1,3-Dithiolo[4,5-c]coumarine, 2-dicyanomethylene-8-nitro-
Wiley ID 1425024