| SpectraBase Spectrum ID |
E1YWp0MAA2u |
| Name |
4-Chloro-2-methylbenzyl alcohol, N-pentyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.112442931 u |
| Formula |
C13H19ClO |
| InChI |
InChI=1S/C13H19ClO/c1-3-4-5-8-15-10-12-6-7-13(14)9-11(12)2/h6-7,9H,3-5,8,10H2,1-2H3 |
| InChIKey |
ABVBRABTELIGTH-UHFFFAOYSA-N |
| Molecular Weight |
226.747 g/mol |
| SMILES |
C1=C(C(=CC(=C1)Cl)C)COCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86112 |
