| SpectraBase Spectrum ID |
EFOFRSrZNMQ |
| Name |
2-Methylpropyl 2-chloropropanoate; isobutyl 2-chloropropionate; propanoic acid, 2-chloro-, 2-methylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
164.060407357 u |
| Formula |
C7H13ClO2 |
| InChI |
InChI=1S/C7H13ClO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3 |
| InChIKey |
AEEGJNJYJCGJFZ-UHFFFAOYSA-N |
| Molecular Weight |
164.632 g/mol |
| SMILES |
CC(C(OCC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.942884 |
