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Methyl 6,11-dithia-octadecanoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl 6,11-dithia-octadecanoate
SpectraBase Compound ID DEMULktw5ts
InChI InChI=1S/C17H34O2S2/c1-3-4-5-6-8-13-20-15-10-11-16-21-14-9-7-12-17(18)19-2/h3-16H2,1-2H3
InChIKey XXGJOXJRUGRWTA-UHFFFAOYSA-N
Mol Weight 334.6 g/mol
Molecular Formula C17H34O2S2
Exact Mass 334.200023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5Z9iGm3g7qG
Name Methyl 6,11-dithia-octadecanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.200022681 u
Formula C17H34O2S2
InChI InChI=1S/C17H34O2S2/c1-3-4-5-6-8-13-20-15-10-11-16-21-14-9-7-12-17(18)19-2/h3-16H2,1-2H3
InChIKey XXGJOXJRUGRWTA-UHFFFAOYSA-N
Molecular Weight 334.577 g/mol
SMILES C(CSCCCCSCCCCCCC)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.851941