| SpectraBase Compound ID | 414neRfyqJz |
|---|---|
| InChI | InChI=1S/C7H13ClO3/c1-6(2)5-11-7(9)10-4-3-8/h6H,3-5H2,1-2H3 |
| InChIKey | KDTLGOKVKFTMJC-UHFFFAOYSA-N |
| Mol Weight | 180.63 g/mol |
| Molecular Formula | C7H13ClO3 |
| Exact Mass | 180.055322 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 | Gb0Wu6OcluN |
|---|---|
| Name | 2-Chloroethyl isobutyl carbonate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.055321976 u |
| Formula | C7H13ClO3 |
| InChI | InChI=1S/C7H13ClO3/c1-6(2)5-11-7(9)10-4-3-8/h6H,3-5H2,1-2H3 |
| InChIKey | KDTLGOKVKFTMJC-UHFFFAOYSA-N |
| Molecular Weight | 180.631 g/mol |
| SMILES | C(OCC(C)C)(=O)OCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946489 |