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Methyl 4-[3-(p-t-butylphenyl)-2-methylpropylthio]pentanoate
SpectraBase Compound ID 5j2TNJDc4ww
InChI InChI=1S/C20H32O2S/c1-15(14-23-16(2)7-12-19(21)22-6)13-17-8-10-18(11-9-17)20(3,4)5/h8-11,15-16H,7,12-14H2,1-6H3
InChIKey WZRAXTUSAOGBDP-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O2S
Exact Mass 336.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBeHfAHo1mS
Name Methyl 4-[3-(p-t-butylphenyl)-2-methylpropylthio]pentanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32O2S
InChI InChI=1S/C20H32O2S/c1-15(14-23-16(2)7-12-19(21)22-6)13-17-8-10-18(11-9-17)20(3,4)5/h8-11,15-16H,7,12-14H2,1-6H3
InChIKey WZRAXTUSAOGBDP-UHFFFAOYSA-N
Molecular Weight 336.534 g/mol
SMILES C(=O)(CCC(SCC(Cc1ccc(C(C)(C)C)cc1)C)C)OC
SPLASH splash10-00dr-0901000000-f61335f5b082bc914406
Source of Spectrum B-45-445-0
Synonyms Methyl 4-{[3-(4-tert-butylphenyl)-2-methylpropyl]sulfanyl}pentanoate
Wiley ID 1332534