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6-Chloro-1-(4-chloro-phenyl)-1H-isothiochromene-3,4-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

6-Chloro-1-(4-chloro-phenyl)-1H-isothiochromene-3,4-dicarboxylic acid dimethyl ester
SpectraBase Compound ID JHDSCKzm2xt
InChI InChI=1S/C19H14Cl2O4S/c1-24-18(22)15-14-9-12(21)7-8-13(14)16(26-17(15)19(23)25-2)10-3-5-11(20)6-4-10/h3-9,16H,1-2H3
InChIKey RYQCJQSRNMPOPM-UHFFFAOYSA-N
Mol Weight 409.28 g/mol
Molecular Formula C19H14Cl2O4S
Exact Mass 407.998986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36RPa08tfs
Name 6-Chloro-1-(4-chloro-phenyl)-1H-isothiochromene-3,4-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H14Cl2O4S
InChI InChI=1S/C19H14Cl2O4S/c1-24-18(22)15-14-9-12(21)7-8-13(14)16(26-17(15)19(23)25-2)10-3-5-11(20)6-4-10/h3-9,16H,1-2H3
InChIKey RYQCJQSRNMPOPM-UHFFFAOYSA-N
Molecular Weight 409.283 g/mol
SMILES C1(=C(SC(c2c1cc(cc2)Cl)c1ccc(cc1)Cl)C(=O)OC)C(=O)OC
SPLASH splash10-0bta-0033900000-d1c67298aacbe72b8585
Source of Spectrum F-53-966-10
Synonyms Dimethyl 6-chloro-1-(4-chlorophenyl)-1H-2-benzothiopyran-3,4-dicarboxylate Dimethyl-6-chloro-1-(4-chlorophenyl)-1H-benzothiopyran-3,4-dicarboxylate
Wiley ID 800186