| SpectraBase Compound ID | CbzspXVy77v |
|---|---|
| InChI | InChI=1S/C15H15ClO/c1-15(2,11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h3-10,17H,1-2H3 |
| InChIKey | AZWABZDQHDYHGK-UHFFFAOYSA-N |
| Mol Weight | 246.74 g/mol |
| Molecular Formula | C15H15ClO |
| Exact Mass | 246.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FLk5elF3g4v |
|---|---|
| Name | 2-Chloro-4-cumyl-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.081142802 u |
| Formula | C15H15ClO |
| InChI | InChI=1S/C15H15ClO/c1-15(2,11-6-4-3-5-7-11)12-8-9-14(17)13(16)10-12/h3-10,17H,1-2H3 |
| InChIKey | AZWABZDQHDYHGK-UHFFFAOYSA-N |
| Molecular Weight | 246.737 g/mol |
| SMILES | C=1(C(C2=CC=CC=C2)(C)C)C=C(Cl)C(=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93735 |