| SpectraBase Spectrum ID |
G29B3gLAx7p |
| Name |
Benzene, [(5-iodo-2,4-dimethyl-4-pentenyl)thio]-, [R-(E)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.009566721 u |
| Formula |
C13H17IS |
| InChI |
InChI=1S/C13H17IS/c1-11(9-14)8-12(2)10-15-13-6-4-3-5-7-13/h3-7,9,12H,8,10H2,1-2H3/b11-9+/t12-/m1/s1 |
| InChIKey |
DDYNLNNVSVVEJK-LMMOQWNQSA-N |
| Molecular Weight |
332.243 g/mol |
| SMILES |
C(\C(=C\I)C)[C@](CSC1=CC=CC=C1)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852734 |
![Benzene, [(5-iodo-2,4-dimethyl-4-pentenyl)thio]-, [R-(E)]-](/api/spectrum/G29B3gLAx7p/structure.png?h=300&w=458 "Benzene, [(5-iodo-2,4-dimethyl-4-pentenyl)thio]-, [R-(E)]-")
