| SpectraBase Compound ID | 8DqMQXbbXyu |
|---|---|
| InChI | InChI=1S/C9H15ClO3/c1-7(2)5-6-13-9(12)4-3-8(10)11/h7H,3-6H2,1-2H3 |
| InChIKey | NVHUMKDRBJJLIC-UHFFFAOYSA-N |
| Mol Weight | 206.67 g/mol |
| Molecular Formula | C9H15ClO3 |
| Exact Mass | 206.070972 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 | 9PJxf7wl8UM |
|---|---|
| Name | Succinic acid, monochloride, 3-methylbutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.070972040 u |
| Formula | C9H15ClO3 |
| InChI | InChI=1S/C9H15ClO3/c1-7(2)5-6-13-9(12)4-3-8(10)11/h7H,3-6H2,1-2H3 |
| InChIKey | NVHUMKDRBJJLIC-UHFFFAOYSA-N |
| Molecular Weight | 206.669 g/mol |
| SMILES | C(C(OCCC(C)C)=O)CC(Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959262 |