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Methyl 11-(Dodecylthio)-undecanoate
SpectraBase Compound ID JTKx4yYmuI2
InChI InChI=1S/C24H48O2S/c1-3-4-5-6-7-8-10-13-16-19-22-27-23-20-17-14-11-9-12-15-18-21-24(25)26-2/h3-23H2,1-2H3
InChIKey NGWAXYIBAYSZSW-UHFFFAOYSA-N
Mol Weight 400.7 g/mol
Molecular Formula C24H48O2S
Exact Mass 400.337502 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh3WjQO7WaD
Name Methyl 11-(Dodecylthio)-undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.337501958 u
Formula C24H48O2S
InChI InChI=1S/C24H48O2S/c1-3-4-5-6-7-8-10-13-16-19-22-27-23-20-17-14-11-9-12-15-18-21-24(25)26-2/h3-23H2,1-2H3
InChIKey NGWAXYIBAYSZSW-UHFFFAOYSA-N
Instrument Name Thermo DSQII
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201701692
Molecular Weight 400.706 g/mol
Quality 52
SMILES COC(CCCCCCCCCCSCCCCCCCCCCCC)=O
SPLASH splash10-014i-9120000000-9320a35c434d27ae35b0
Source of Spectrum K1-2018-733-3b (DOI: 10.1002/ejoc.201701692)
Wiley ID 1894438