![1-[3-(Chloromethyl)phenyl]pentan-1-one](/api/spectrum/AmO8v1VQsis/structure.png?h=300&w=458 "1-[3-(Chloromethyl)phenyl]pentan-1-one")
| SpectraBase Compound ID | A86v3gVegzL |
|---|---|
| InChI | InChI=1S/C12H15ClO/c1-2-3-7-12(14)11-6-4-5-10(8-11)9-13/h4-6,8H,2-3,7,9H2,1H3 |
| InChIKey | VRXWTTSUKLGERE-UHFFFAOYSA-N |
| Mol Weight | 210.7 g/mol |
| Molecular Formula | C12H15ClO |
| Exact Mass | 210.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AmO8v1VQsis |
|---|---|
| Name | 1-[3-(Chloromethyl)phenyl]pentan-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.081142802 u |
| Formula | C12H15ClO |
| InChI | InChI=1S/C12H15ClO/c1-2-3-7-12(14)11-6-4-5-10(8-11)9-13/h4-6,8H,2-3,7,9H2,1H3 |
| InChIKey | VRXWTTSUKLGERE-UHFFFAOYSA-N |
| Molecular Weight | 210.704 g/mol |
| SMILES | C=1(C(CCCC)=O)C=C(CCl)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856012 |