| SpectraBase Compound ID | ETM5X2WDWVc |
|---|---|
| InChI | InChI=1S/C10H11ClO2/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | SYLRFDTUTMLVNM-UHFFFAOYSA-N |
| Mol Weight | 198.65 g/mol |
| Molecular Formula | C10H11ClO2 |
| Exact Mass | 198.044757 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CPAotAmLiTp |
|---|---|
| Name | 4-Phenoxybutyryl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.044757292 u |
| Formula | C10H11ClO2 |
| InChI | InChI=1S/C10H11ClO2/c11-10(12)7-4-8-13-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChIKey | SYLRFDTUTMLVNM-UHFFFAOYSA-N |
| Molecular Weight | 198.649 g/mol |
| SMILES | C=1C(=CC=CC1)OCCCC(Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.772139 |