| SpectraBase Compound ID | KPyhI3BDHgC |
|---|---|
| InChI | InChI=1S/C7H11ClO2/c1-2-5-3-6(4-8)10-7(5)9/h5-6H,2-4H2,1H3 |
| InChIKey | NSJCWMCYLGFVJV-UHFFFAOYSA-N |
| Mol Weight | 162.62 g/mol |
| Molecular Formula | C7H11ClO2 |
| Exact Mass | 162.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ity12BLQas |
|---|---|
| Name | 4-(Chloromethyl)-2-ethylbutyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.044757292 u |
| Formula | C7H11ClO2 |
| InChI | InChI=1S/C7H11ClO2/c1-2-5-3-6(4-8)10-7(5)9/h5-6H,2-4H2,1H3 |
| InChIKey | NSJCWMCYLGFVJV-UHFFFAOYSA-N |
| Molecular Weight | 162.616 g/mol |
| SMILES | C1(OC(CCl)CC1CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913087 |