| SpectraBase Spectrum ID |
BX9z9GB61Wk |
| Name |
6-Hepten-1-ol, 5-(bromomethyl)-2,6-dimethyl-, [R-(R*,S*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
234.061928231 u |
| Formula |
C10H19BrO |
| InChI |
InChI=1S/C10H19BrO/c1-3-4-10(7-11)6-5-9(2)8-12/h3,9-10,12H,1,4-8H2,2H3/t9-,10+/m0/s1 |
| InChIKey |
MLHSZNNGDRBJAE-VHSXEESVSA-N |
| Molecular Weight |
235.165 g/mol |
| SMILES |
C(=C)C[C@](CC[C@@](CO)(C)[H])(CBr)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872558 |
![6-Hepten-1-ol, 5-(bromomethyl)-2,6-dimethyl-, [R-(R*,S*)]-](/api/spectrum/BX9z9GB61Wk/structure.png?h=300&w=458 "6-Hepten-1-ol, 5-(bromomethyl)-2,6-dimethyl-, [R-(R*,S*)]-")
