| SpectraBase Spectrum ID |
jsp3rbRPN5 |
| Name |
2'-Chlorophenyl 3-chloro-3-methylbutanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.021435024 u |
| Formula |
C11H12Cl2O2 |
| InChI |
InChI=1S/C11H12Cl2O2/c1-11(2,13)7-10(14)15-9-6-4-3-5-8(9)12/h3-6H,7H2,1-2H3 |
| InChIKey |
MULTZXJUMNVHRB-UHFFFAOYSA-N |
| Molecular Weight |
247.121 g/mol |
| SMILES |
C(CC(Cl)(C)C)(OC=1C(Cl)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857072 |
