| SpectraBase Compound ID | 1lP7rue5yJT |
|---|---|
| InChI | InChI=1S/C7H11ClO2/c1-6(5-8)3-4-10-7(2)9/h3H,4-5H2,1-2H3/b6-3+ |
| InChIKey | URVYVINLDPIJEH-ZZXKWVIFSA-N |
| Mol Weight | 162.62 g/mol |
| Molecular Formula | C7H11ClO2 |
| Exact Mass | 162.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BcbkowT8DjF |
|---|---|
| Name | 4-Chloro-3-methyl-2-butenyl acetate |
| 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/c1-6(5-8)3-4-10-7(2)9/h3H,4-5H2,1-2H3/b6-3+ |
| InChIKey | URVYVINLDPIJEH-ZZXKWVIFSA-N |
| Molecular Weight | 162.616 g/mol |
| SMILES | C(C)(=O)OC\C=C\(CCl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961012 |