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Methyl 7-(4-chlorophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylate
SpectraBase Compound ID BK2FeIn2IVC
InChI InChI=1S/C21H15ClO3S/c1-25-21(24)20-17(23)10-15(12-6-8-13(22)9-7-12)16-11-26-18-5-3-2-4-14(18)19(16)20/h2-10,23H,11H2,1H3
InChIKey OFBGNEMPVJJFTP-UHFFFAOYSA-N
Mol Weight 382.86 g/mol
Molecular Formula C21H15ClO3S
Exact Mass 382.043043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQpwXP7RM1w
Name Methyl 7-(4-chlorophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylate
Alternate Name(s) 7-(4-chlorophenyl)-9-hydroxy-6H-benzo[c]thiochromene-10-carboxylic acid methyl ester methyl 7-(4-chlorophenyl)-9-oxidanyl-6H-benzo[c]thiochromene-10-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C21H15ClO3S
InChI InChI=1S/C21H15ClO3S/c1-25-21(24)20-17(23)10-15(12-6-8-13(22)9-7-12)16-11-26-18-5-3-2-4-14(18)19(16)20/h2-10,23H,11H2,1H3
InChIKey OFBGNEMPVJJFTP-UHFFFAOYSA-N
Molecular Weight 382.861 g/mol
SMILES Oc1c(c-2c(CSc3c2cccc3)c(c1)-c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-0f89-0009000000-ea2f5c164c24c2b3d192
Source of Spectrum J-66-5336-6
Wiley ID 1535607