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Butyric acid, 4,4'-thiodi-, didodecyl ester
SpectraBase Compound ID CwQQ4umVsYJ
InChI InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-27-35-31(33)25-23-29-37-30-24-26-32(34)36-28-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey PPRNRQYITYWTIS-UHFFFAOYSA-N
Mol Weight 542.9 g/mol
Molecular Formula C32H62O4S
Exact Mass 542.436882 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gq03e1bw5J3
Name 4-[(4-dodecoxy-4-oxobutyl)thio]butanoic acid dodecyl ester
CAS Registry Number 3288-83-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H62O4S
InChI InChI=1S/C32H62O4S/c1-3-5-7-9-11-13-15-17-19-21-27-35-31(33)25-23-29-37-30-24-26-32(34)36-28-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3
InChIKey PPRNRQYITYWTIS-UHFFFAOYSA-N
Molecular Weight 542.904 g/mol
SMILES C(=O)(OCCCCCCCCCCCC)CCCSCCCC(=O)OCCCCCCCCCCCC
SPLASH splash10-052u-9000000000-18f5ad979616acf0b04a
Source of Spectrum IC-1259-0-0
Synonyms Butyric acid, 4,4'-thiodi-, didodecyl ester 4-[(4-keto-4-lauryloxy-butyl)thio]butyric acid lauryl ester Dodecyl 4-(4-dodecoxy-4-oxidanylidene-butyl)sulfanylbutanoate Dodecyl 4-(4-dodecoxy-4-oxo-butyl)sulfanylbutanoate
Wiley ID 1404874