| SpectraBase Spectrum ID |
6hglBAZK0ky |
| Name |
(3R,7Z)-6-Chloro-3-hydroxynona-1,6-dien-5-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
188.060407357 u |
| Formula |
C9H13ClO2 |
| InChI |
InChI=1S/C9H13ClO2/c1-3-5-8(10)9(12)6-7(11)4-2/h4-5,7,11H,2-3,6H2,1H3/b8-5-/t7-/m0/s1 |
| InChIKey |
SYUQHZXNYXZOND-BJMRUTCWSA-N |
| Molecular Weight |
188.654 g/mol |
| SMILES |
C(\C(=C\CC)Cl)(C[C@](C=C)(O)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862282 |
