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2-[2-(4-Nitrobenzoyl)-3,3-bis(methylsulfanyl)-2-propenylidene]malononitrile
SpectraBase Compound ID 7n04BD3qmmm
InChI InChI=1S/C15H11N3O3S2/c1-22-15(23-2)13(7-10(8-16)9-17)14(19)11-3-5-12(6-4-11)18(20)21/h3-7H,1-2H3
InChIKey BQFCXEYEHCWKMD-UHFFFAOYSA-N
Mol Weight 345.39 g/mol
Molecular Formula C15H11N3O3S2
Exact Mass 345.024184 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LPaqlAOTYmV
Name 2-[2-(4-Nitrobenzoyl)-3,3-bis(methylsulfanyl)-2-propenylidene]malononitrile
Alternate Name(s) 2-[3,3-bis(methylsulfanyl)-2-(4-nitrobenzoyl)-2-propenylidene]malononitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H11N3O3S2
InChI InChI=1S/C15H11N3O3S2/c1-22-15(23-2)13(7-10(8-16)9-17)14(19)11-3-5-12(6-4-11)18(20)21/h3-7H,1-2H3
InChIKey BQFCXEYEHCWKMD-UHFFFAOYSA-N
Molecular Weight 345.391 g/mol
SMILES C(C(C#N)=CC(=C(SC)SC)C(c1ccc(cc1)N(=O)=O)=O)#N
SPLASH splash10-0umi-2900000000-8b674f201f3f59ba6791
Source of Spectrum SO-0-154-3
Wiley ID 1611881