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Dimethyl-(.alpha.thiocyanato-p-nitrobenzylidene)malonate
SpectraBase Compound ID KCaLJ6YTCA8
InChI InChI=1S/C13H10N2O6S/c1-20-12(16)10(13(17)21-2)11(22-7-14)8-3-5-9(6-4-8)15(18)19/h3-6H,1-2H3
InChIKey XHYKBRPVWAGGLU-UHFFFAOYSA-N
Mol Weight 322.29 g/mol
Molecular Formula C13H10N2O6S
Exact Mass 322.025957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMtKHn4LxwL
Name Dimethyl-(.alpha.thiocyanato-p-nitrobenzylidene)malonate
Alternate Name(s) Dimethyl 2-[(cyanosulfanyl)(4-nitrophenyl)methylene]malonate
CAS Registry Number 110242-50-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O6S
InChI InChI=1S/C13H10N2O6S/c1-20-12(16)10(13(17)21-2)11(22-7-14)8-3-5-9(6-4-8)15(18)19/h3-6H,1-2H3
InChIKey XHYKBRPVWAGGLU-UHFFFAOYSA-N
Molecular Weight 322.291 g/mol
SMILES C(=C(c1ccc(N(=O)=O)cc1)SC#N)(C(=O)OC)C(=O)OC
SPLASH splash10-00b9-0920000000-97a540102387ccf26c24
Source of Spectrum C-109-6709-14
Wiley ID 1321304