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Dimethyl-(.alpha.(tolylthio)-p-methylbenzylidene)malonate
SpectraBase Compound ID 3R0ziIwZp1d
InChI InChI=1S/C20H20O4S/c1-13-5-9-15(10-6-13)18(17(19(21)23-3)20(22)24-4)25-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKey UPOSCKOTWZBOHA-UHFFFAOYSA-N
Mol Weight 356.44 g/mol
Molecular Formula C20H20O4S
Exact Mass 356.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95ANNZZS4Ww
Name Dimethyl-(.alpha.(tolylthio)-p-methylbenzylidene)malonate
Alternate Name(s) Dimethyl 2-{(4-methylphenyl)[(4-methylphenyl)sulfanyl]methylene}malonate
CAS Registry Number 110242-41-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O4S
InChI InChI=1S/C20H20O4S/c1-13-5-9-15(10-6-13)18(17(19(21)23-3)20(22)24-4)25-16-11-7-14(2)8-12-16/h5-12H,1-4H3
InChIKey UPOSCKOTWZBOHA-UHFFFAOYSA-N
Molecular Weight 356.436 g/mol
SMILES C(=C(Sc1ccc(cc1)C)c1ccc(cc1)C)(C(=O)OC)C(=O)OC
SPLASH splash10-014j-0392000000-e6bed7b809dd3301a9a5
Source of Spectrum C-109-6709-12
Wiley ID 1345781