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Methyl 16,17-bis(methylthio)-pentacosanoate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Methyl 16,17-bis(methylthio)-pentacosanoate
SpectraBase Compound ID r3efI3Hpod
InChI InChI=1S/C28H56O2S2/c1-5-6-7-8-17-20-23-26(31-3)27(32-4)24-21-18-15-13-11-9-10-12-14-16-19-22-25-28(29)30-2/h26-27H,5-25H2,1-4H3
InChIKey SGIVBFRYCQLXDE-UHFFFAOYSA-N
Mol Weight 488.9 g/mol
Molecular Formula C28H56O2S2
Exact Mass 488.372173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BLdrYRPeGzt
Name Methyl 16,17-bis(methylthio)-pentacosanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H56O2S2
InChI InChI=1S/C28H56O2S2/c1-5-6-7-8-17-20-23-26(31-3)27(32-4)24-21-18-15-13-11-9-10-12-14-16-19-22-25-28(29)30-2/h26-27H,5-25H2,1-4H3
InChIKey SGIVBFRYCQLXDE-UHFFFAOYSA-N
Molecular Weight 488.874 g/mol
SMILES C(CCCCCCCCCCCCCCC(C(CCCCCCCC)SC)SC)(=O)OC
SPLASH splash10-0api-9000000000-9f59674234102133fdee
Source of Spectrum X2-55-339-0
Synonyms Methyl 16,17-bis(methylsulfanyl)pentacosanoate
Wiley ID 1604383