| SpectraBase Spectrum ID |
8Ruqk44DIFI |
| Name |
2,3-bis(Methylthio)icosane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.304093829 u |
| Formula |
C22H46S2 |
| InChI |
InChI=1S/C22H46S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24-4)21(2)23-3/h21-22H,5-20H2,1-4H3 |
| InChIKey |
CQDSRDMQLPRDQB-UHFFFAOYSA-N |
| Molecular Weight |
374.730 g/mol |
| SMILES |
C(CCCCCCCCCCCCCC)CCC(C(SC)C)SC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891911 |
