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Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-hexamethylenobenzoate

View entire compound with spectra: 1 MS (GC)

Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-hexamethylenobenzoate
SpectraBase Compound ID Jj4sMewvISg
InChI InChI=1S/C21H23ClO2S/c1-24-21(23)20-17-8-6-4-3-5-7-16(17)18(13-19(20)25-2)14-9-11-15(22)12-10-14/h9-13H,3-8H2,1-2H3
InChIKey PAUBAVVYMPJXJW-UHFFFAOYSA-N
Mol Weight 374.93 g/mol
Molecular Formula C21H23ClO2S
Exact Mass 374.110729 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BU9twTtnluy
Name Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-hexamethylenobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23ClO2S
InChI InChI=1S/C21H23ClO2S/c1-24-21(23)20-17-8-6-4-3-5-7-16(17)18(13-19(20)25-2)14-9-11-15(22)12-10-14/h9-13H,3-8H2,1-2H3
InChIKey PAUBAVVYMPJXJW-UHFFFAOYSA-N
Molecular Weight 374.926 g/mol
SMILES c1(c2c(CCCCCC2)c(cc1SC)-c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-00bc-0009000000-aabb715ca06dc0aa51c0
Source of Spectrum SO-0-468-3
Wiley ID 876416