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[1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV-2-carboxylic acid, 3-phenyl-, methyl ester
SpectraBase Compound ID BZ2gxkj8Kdo
InChI InChI=1S/C13H10O2S3/c1-15-13(14)12-11(9-5-3-2-4-6-9)10-7-8-16-18(10)17-12/h2-8H,1H3
InChIKey DTJLPAFCEDKLRY-UHFFFAOYSA-N
Mol Weight 294.4 g/mol
Molecular Formula C13H10O2S3
Exact Mass 293.984293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DoP0p7JeGpL
Name [1,2]Dithiolo[1,5-b][1,2]dithiole-7-SIV-2-carboxylic acid, 3-phenyl-, methyl ester
Alternate Name(s) 2-Carboxymethyl-3-phenyl-1,6,6a.lambda.*4-trithiapentalene Methyl 3-phenyl-7lambda(4)-[1,2]dithiolo[5,1-e][1,2]dithiole-2-carboxylate
CAS Registry Number 60823-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10O2S3
InChI InChI=1S/C13H10O2S3/c1-15-13(14)12-11(9-5-3-2-4-6-9)10-7-8-16-18(10)17-12/h2-8H,1H3
InChIKey DTJLPAFCEDKLRY-UHFFFAOYSA-N
Molecular Weight 294.401 g/mol
SMILES c1(ss2sccc2c1-c1ccccc1)C(=O)OC
SPLASH splash10-000f-2290000000-2e8f7a8215870a473bd9
Source of Spectrum SB-30-474-2
Wiley ID 1296796