| SpectraBase Compound ID | IFjR8fu6W7v |
|---|---|
| InChI | InChI=1S/C12H17ClO/c1-2-3-9-14-10-8-11-4-6-12(13)7-5-11/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | NTXSTHQLVCXKMA-UHFFFAOYSA-N |
| Mol Weight | 212.72 g/mol |
| Molecular Formula | C12H17ClO |
| Exact Mass | 212.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9KMqNtbmMMJ |
|---|---|
| Name | 4-Chlorophenethyl alcohol, N-butyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.096792866 u |
| Formula | C12H17ClO |
| InChI | InChI=1S/C12H17ClO/c1-2-3-9-14-10-8-11-4-6-12(13)7-5-11/h4-7H,2-3,8-10H2,1H3 |
| InChIKey | NTXSTHQLVCXKMA-UHFFFAOYSA-N |
| Molecular Weight | 212.720 g/mol |
| SMILES | C1=CC(=CC=C1CCOCCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894532 |