| SpectraBase Compound ID | 5xqBmvh2BkM |
|---|---|
| InChI | InChI=1S/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3 |
| InChIKey | IBQDPNHVFRFCFK-UHFFFAOYSA-N |
| Mol Weight | 226.7 g/mol |
| Molecular Formula | C12H15ClO2 |
| Exact Mass | 226.076057 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 35KZibLPtMB |
|---|---|
| Name | p-(Pentyloxy)benzoyl chloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.076057421 u |
| Formula | C12H15ClO2 |
| InChI | InChI=1S/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3 |
| InChIKey | IBQDPNHVFRFCFK-UHFFFAOYSA-N |
| Molecular Weight | 226.703 g/mol |
| SMILES | C=1C(=CC=C(C1)C(Cl)=O)OCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.96172 |