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Didodecanyl thiodiglycollate

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

Didodecanyl thiodiglycollate
SpectraBase Compound ID Bf10EUeJkl3
InChI InChI=1S/C28H54O4S/c1-3-5-7-9-11-13-15-17-19-21-23-31-27(29)25-33-26-28(30)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey TVYHCEXFDOSFIF-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C28H54O4S
Exact Mass 486.374281 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3co8av6NvRO
Name Didodecanyl thiodiglycollate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 486.374281389 u
Formula C28H54O4S
InChI InChI=1S/C28H54O4S/c1-3-5-7-9-11-13-15-17-19-21-23-31-27(29)25-33-26-28(30)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3
InChIKey TVYHCEXFDOSFIF-UHFFFAOYSA-N
Molecular Weight 486.796 g/mol
SMILES C(CCCOC(CSCC(OCCCCCCCCCCCC)=O)=O)CCCCCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.880487