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Methyl 6,8-dithia-octadecanoate

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Methyl 6,8-dithia-octadecanoate
SpectraBase Compound ID JKJYc2JnxKP
InChI InChI=1S/C17H34O2S2/c1-3-4-5-6-7-8-9-11-14-20-16-21-15-12-10-13-17(18)19-2/h3-16H2,1-2H3
InChIKey GYXYJJAOYRDLBQ-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 1YWSuGCCQJJ
Name Methyl 6,8-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/c1-3-4-5-6-7-8-9-11-14-20-16-21-15-12-10-13-17(18)19-2/h3-16H2,1-2H3
InChIKey GYXYJJAOYRDLBQ-UHFFFAOYSA-N
Molecular Weight 334.577 g/mol
SMILES C(CSCSCCCCCCCCCC)CCC(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.977337