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Butyric acid, 4,4'-thiodi-, dioctadecyl ester
SpectraBase Compound ID GbNffiikwWJ
InChI InChI=1S/C44H86O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-47-43(45)37-35-41-49-42-36-38-44(46)48-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey YVQOUDHDIAUWPN-UHFFFAOYSA-N
Mol Weight 711.2 g/mol
Molecular Formula C44H86O4S
Exact Mass 710.624682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1YMxFNLPRuA
Name 4-[(4-keto-4-stearyloxy-butyl)thio]butyric acid stearyl ester
CAS Registry Number 3895-83-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H86O4S
InChI InChI=1S/C44H86O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-47-43(45)37-35-41-49-42-36-38-44(46)48-40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3
InChIKey YVQOUDHDIAUWPN-UHFFFAOYSA-N
Molecular Weight 711.228 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCC)CCCSCCCC(=O)OCCCCCCCCCCCCCCCCCC
SPLASH splash10-052u-9000000000-dcee3a388c2bfa92e885
Source of Spectrum IC-1313-0-0
Synonyms Butyric acid, 4,4'-thiodi-, dioctadecyl ester 4-[(4-octadecoxy-4-oxobutyl)thio]butanoic acid octadecyl ester Octadecyl 4-(4-octadecoxy-4-oxidanylidene-butyl)sulfanylbutanoate Octadecyl 4-(4-octadecoxy-4-oxo-butyl)sulfanylbutanoate
Wiley ID 1415365