| SpectraBase Spectrum ID |
BpntvNluhd |
| Name |
1,3-Dithiane-2-methanol, .alpha.-(1-methylethyl)-2-(1-propenyl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.095557611 u |
| Formula |
C11H20OS2 |
| InChI |
InChI=1S/C11H20OS2/c1-4-6-11(10(12)9(2)3)13-7-5-8-14-11/h4,6,9-10,12H,5,7-8H2,1-3H3/b6-4+ |
| InChIKey |
NLFBFYRFEFZRRO-GQCTYLIASA-N |
| Molecular Weight |
232.400 g/mol |
| SMILES |
C1(SCCCS1)(C(C(C)C)O)\C=C\C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945823 |
