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(E)-(2RS,1'RS)-Methyl 6,10-dimethyl-2-(2'-(benzyloxy)-1'-hydroxyethyl)-2-(phenylthio)-5,9-undecadieoate
SpectraBase Compound ID B23Vg6w55qP
InChI InChI=1S/C29H38O4S/c1-23(2)13-11-14-24(3)15-12-20-29(28(31)32-4,34-26-18-9-6-10-19-26)27(30)22-33-21-25-16-7-5-8-17-25/h5-10,13,15-19,27,30H,11-12,14,20-22H2,1-4H3/b24-15+
InChIKey KFAROOAPAWVNRQ-BUVRLJJBSA-N
Mol Weight 482.7 g/mol
Molecular Formula C29H38O4S
Exact Mass 482.249081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzpqzcY6rZu
Name (E)-(2RS,1'RS)-Methyl 6,10-dimethyl-2-(2'-(benzyloxy)-1'-hydroxyethyl)-2-(phenylthio)-5,9-undecadieoate
Alternate Name(s) Methyl (5E)-2-[2-(benzyloxy)-1-hydroxyethyl]-6,10-dimethyl-2-(phenylsulfanyl)-5,9-undecadienoate
CAS Registry Number 71841-10-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38O4S
InChI InChI=1S/C29H38O4S/c1-23(2)13-11-14-24(3)15-12-20-29(28(31)32-4,34-26-18-9-6-10-19-26)27(30)22-33-21-25-16-7-5-8-17-25/h5-10,13,15-19,27,30H,11-12,14,20-22H2,1-4H3/b24-15+
InChIKey KFAROOAPAWVNRQ-BUVRLJJBSA-N
Molecular Weight 482.679 g/mol
SMILES OC(C(C(=O)OC)(Sc1ccccc1)CC\C=C\(CCC=C(C)C)C)COCc1ccccc1
SPLASH splash10-052o-9300000000-3eb05e5144a56ad5369c
Source of Spectrum J-45-3552-0
Wiley ID 1395675