| SpectraBase Compound ID | 2h7qecutlYP |
|---|---|
| InChI | InChI=1S/C10H13ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3 |
| InChIKey | HAELFEDVTLKJMU-UHFFFAOYSA-N |
| Mol Weight | 184.67 g/mol |
| Molecular Formula | C10H13ClO |
| Exact Mass | 184.065493 g/mol |
| SpectraBase Spectrum ID | BYPo5DDGOeX |
|---|---|
| Name | p-Chloro-alpha-propylbenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.065492738 u |
| Formula | C10H13ClO |
| InChI | InChI=1S/C10H13ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10,12H,2-3H2,1H3 |
| InChIKey | HAELFEDVTLKJMU-UHFFFAOYSA-N |
| Molecular Weight | 184.666 g/mol |
| SMILES | OC(C1=CC=C(C=C1)Cl)CCC |
| Spectrum/Structure Validation Score (Raman) | 0.983067 |