| SpectraBase Spectrum ID |
7TUgxJ2Xonx |
| Name |
(4S,8Z)-9-Bromo-p-menth-1,8-diene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.035713483 u |
| Formula |
C10H15Br |
| InChI |
InChI=1S/C10H15Br/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,10H,4-6H2,1-2H3/b9-7-/t10-/m1/s1 |
| InChIKey |
LPIMJZFHMZHTDV-UJICNMFASA-N |
| Molecular Weight |
215.134 g/mol |
| SMILES |
[C@@]1(\C(=C/Br)C)(CC=C(CC1)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944093 |
