| SpectraBase Compound ID | iDM9gN2B6o |
|---|---|
| InChI | InChI=1S/C10H19ClO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | JOEKXOJRCYDLJL-UHFFFAOYSA-N |
| Mol Weight | 206.71 g/mol |
| Molecular Formula | C10H19ClO2 |
| Exact Mass | 206.107358 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 | 2JIh9BBMUlD |
|---|---|
| Name | 5-Chloropentanoic acid, 3-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.107357550 u |
| Formula | C10H19ClO2 |
| InChI | InChI=1S/C10H19ClO2/c1-9(2)6-8-13-10(12)5-3-4-7-11/h9H,3-8H2,1-2H3 |
| InChIKey | JOEKXOJRCYDLJL-UHFFFAOYSA-N |
| Molecular Weight | 206.713 g/mol |
| SMILES | C(CC(C)C)OC(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985472 |