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Dimethyl-(.alpha.-(p-tolylthio)-p-nitrobenzylidene)malonate
SpectraBase Compound ID 2vKY47AtwxU
InChI InChI=1S/C19H17NO6S/c1-12-4-10-15(11-5-12)27-17(16(18(21)25-2)19(22)26-3)13-6-8-14(9-7-13)20(23)24/h4-11H,1-3H3
InChIKey WVAJGFZJCXCNDW-UHFFFAOYSA-N
Mol Weight 387.41 g/mol
Molecular Formula C19H17NO6S
Exact Mass 387.077658 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBylkxO2nZS
Name Dimethyl-(.alpha.-(p-tolylthio)-p-nitrobenzylidene)malonate
Alternate Name(s) Dimethyl 2-[[(4-methylphenyl)sulfanyl](4-nitrophenyl)methylene]malonate
CAS Registry Number 110242-45-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H17NO6S
InChI InChI=1S/C19H17NO6S/c1-12-4-10-15(11-5-12)27-17(16(18(21)25-2)19(22)26-3)13-6-8-14(9-7-13)20(23)24/h4-11H,1-3H3
InChIKey WVAJGFZJCXCNDW-UHFFFAOYSA-N
Molecular Weight 387.406 g/mol
SMILES C(=C(Sc1ccc(cc1)C)c1ccc(N(=O)=O)cc1)(C(=O)OC)C(=O)OC
SPLASH splash10-004j-0967000000-1d740019d01722410348
Source of Spectrum C-109-6709-14
Wiley ID 1363328