| SpectraBase Spectrum ID |
3ut16CTvlCV |
| Name |
S-Ethyl 3,7-dimethyl-6,7-epoxyoct-2-en-1-yl thiocarbonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.128965739 u |
| Formula |
C13H22O3S |
| InChI |
InChI=1S/C13H22O3S/c1-5-17-12(14)15-9-8-10(2)6-7-11-13(3,4)16-11/h8,11H,5-7,9H2,1-4H3/b10-8+ |
| InChIKey |
KCRMLSFWSQXHGA-CSKARUKUSA-N |
| Molecular Weight |
258.376 g/mol |
| SMILES |
C(OC\C=C\(CCC1C(C)(O1)C)C)(=O)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884134 |
