SpectraBase Spectrum ID |
LCn902Kffum |
Name |
D-Ribose, 2-deoxy-bis(thiodecyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
464.335787879 u |
Formula |
C25H52O3S2 |
InChI |
InChI=1S/C25H52O3S2/c1-3-5-7-9-11-13-15-17-19-29-25(21-23(27)24(28)22-26)30-20-18-16-14-12-10-8-6-4-2/h23-28H,3-22H2,1-2H3 |
InChIKey |
MNVBWVNBDGAGCG-UHFFFAOYSA-N |
Molecular Weight |
464.808 g/mol |
SMILES |
OCC(C(CC(SCCCCCCCCCC)SCCCCCCCCCC)O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927305 |