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3,3'-Thiodipropionic acid, didodecyl ester
SpectraBase Compound ID 7HkEO4r82MU
InChI InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey GHKOFFNLGXMVNJ-UHFFFAOYSA-N
Mol Weight 514.9 g/mol
Molecular Formula C30H58O4S
Exact Mass 514.405582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kOmb7ZV0cq
Name Dilaurylthiodipropionate
CAS Registry Number 123-28-4
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 514.405581518 u
Formula C30H58O4S
InChI InChI=1S/C30H58O4S/c1-3-5-7-9-11-13-15-17-19-21-25-33-29(31)23-27-35-28-24-30(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
InChIKey GHKOFFNLGXMVNJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 514.850 g/mol
Nominal Mass 514 u
Quality 952
Retention Index 3578
SMILES C(CCSCCC(OCCCCCCCCCCCC)=O)(OCCCCCCCCCCCC)=O
SPLASH splash10-0a6r-8911000000-e786e5fe64859163e473
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3,3'-Thio-bispropionic acid-didodecyl ester
Technique GC/MS
Wiley ID DD2024_006198