| SpectraBase Spectrum ID |
BHej5hk2lAC |
| Name |
Methyl 17,18-bis(methylthio)-tricosanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.340873260 u |
| Formula |
C26H52O2S2 |
| InChI |
InChI=1S/C26H52O2S2/c1-5-6-18-21-24(29-3)25(30-4)22-19-16-14-12-10-8-7-9-11-13-15-17-20-23-26(27)28-2/h24-25H,5-23H2,1-4H3 |
| InChIKey |
HYLPEWKQDUABQO-UHFFFAOYSA-N |
| Molecular Weight |
460.820 g/mol |
| SMILES |
C(=O)(OC)CCCCCCCCCCCCCCCC(C(SC)CCCCC)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890206 |
