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

View entire compound with spectra: 1 MS (GC)

Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-pentamethylenobenzoate
SpectraBase Compound ID 2mp7hfU7aBr
InChI InChI=1S/C20H21ClO2S/c1-23-20(22)19-16-7-5-3-4-6-15(16)17(12-18(19)24-2)13-8-10-14(21)11-9-13/h8-12H,3-7H2,1-2H3
InChIKey HUSUKWYNTXUVFX-UHFFFAOYSA-N
Mol Weight 360.9 g/mol
Molecular Formula C20H21ClO2S
Exact Mass 360.095079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfJJDhtOCjv
Name Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-pentamethylenobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21ClO2S
InChI InChI=1S/C20H21ClO2S/c1-23-20(22)19-16-7-5-3-4-6-15(16)17(12-18(19)24-2)13-8-10-14(21)11-9-13/h8-12H,3-7H2,1-2H3
InChIKey HUSUKWYNTXUVFX-UHFFFAOYSA-N
Molecular Weight 360.899 g/mol
SMILES c1(c2c(CCCCC2)c(cc1SC)-c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-03di-0019000000-c850b8c15e1195cf74be
Source of Spectrum SO-0-468-3
Wiley ID 876418