| SpectraBase Compound ID | BMh69T6Ffgt |
|---|---|
| InChI | InChI=1S/C10H11ClO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3 |
| InChIKey | RGVUACHOYCYNMB-UHFFFAOYSA-N |
| Mol Weight | 182.65 g/mol |
| Molecular Formula | C10H11ClO |
| Exact Mass | 182.049843 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ECG4gXI7kOj |
|---|---|
| Name | 4'-(.beta.-chloroethyl)acetophenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.049842673 u |
| Formula | C10H11ClO |
| InChI | InChI=1S/C10H11ClO/c1-8(12)10-4-2-9(3-5-10)6-7-11/h2-5H,6-7H2,1H3 |
| InChIKey | RGVUACHOYCYNMB-UHFFFAOYSA-N |
| Molecular Weight | 182.650 g/mol |
| SMILES | C1=C(C=CC(=C1)CCCl)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906806 |