| SpectraBase Compound ID | 9QUK1ZL4p73 |
|---|---|
| InChI | InChI=1S/C14H11ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,14,17H |
| InChIKey | CPDVTRQLPNOMQP-UHFFFAOYSA-N |
| Mol Weight | 246.69 g/mol |
| Molecular Formula | C14H11ClO2 |
| Exact Mass | 246.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CzDcPqKi260 |
|---|---|
| Name | 4'-Chlorobenzoin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.044757292 u |
| Formula | C14H11ClO2 |
| InChI | InChI=1S/C14H11ClO2/c15-12-8-6-11(7-9-12)14(17)13(16)10-4-2-1-3-5-10/h1-9,14,17H |
| InChIKey | CPDVTRQLPNOMQP-UHFFFAOYSA-N |
| Molecular Weight | 246.693 g/mol |
| SMILES | OC(C(C1=CC=CC=C1)=O)C=1C=CC(=CC1)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.723433 |