| SpectraBase Spectrum ID |
2Kv4PSSYbKa |
| Name |
2,4-Hexadien-1-ol, 6-chloro-3-methyl-, acetate, (E,E)- |
| 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/c1-8(4-3-6-10)5-7-12-9(2)11/h3-5H,6-7H2,1-2H3/b4-3+,8-5+ |
| InChIKey |
LMFJKQXAHZGLPL-SALQQRKASA-N |
| Molecular Weight |
188.654 g/mol |
| SMILES |
C(=O)(OC\C=C\(\C=C\CCl)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916482 |
