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

View entire compound with spectra: 1 MS (GC)

Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-decamethylenobenzoate
SpectraBase Compound ID JFaFM2AJw1d
InChI InChI=1S/C25H31ClO2S/c1-28-25(27)24-21-12-10-8-6-4-3-5-7-9-11-20(21)22(17-23(24)29-2)18-13-15-19(26)16-14-18/h13-17H,3-12H2,1-2H3
InChIKey KPZDIPDYLJAZFP-UHFFFAOYSA-N
Mol Weight 431.03 g/mol
Molecular Formula C25H31ClO2S
Exact Mass 430.173329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fr8r4YIbpM
Name Methyl 4-(4-chlorophenyl)-6-methylthio-2,3-decamethylenobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31ClO2S
InChI InChI=1S/C25H31ClO2S/c1-28-25(27)24-21-12-10-8-6-4-3-5-7-9-11-20(21)22(17-23(24)29-2)18-13-15-19(26)16-14-18/h13-17H,3-12H2,1-2H3
InChIKey KPZDIPDYLJAZFP-UHFFFAOYSA-N
Molecular Weight 431.034 g/mol
SMILES c1(c2c(CCCCCCCCCC2)c(cc1SC)-c1ccc(cc1)Cl)C(=O)OC
SPLASH splash10-001j-0004900000-76061b5ea60286758ea1
Source of Spectrum SO-0-468-3
Wiley ID 876414