| SpectraBase Spectrum ID |
GyotItDo4z2 |
| Name |
Methyl 12,15-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/c1-3-13-20-15-16-21-14-11-9-7-5-4-6-8-10-12-17(18)19-2/h3-16H2,1-2H3 |
| InChIKey |
ZLADIZSXEFWLMQ-UHFFFAOYSA-N |
| Molecular Weight |
334.577 g/mol |
| SMILES |
C(CCCCCCCSCCSCCC)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.830139 |
