| SpectraBase Spectrum ID |
Ack9ECwg1Jy |
| Name |
2-Chlormethyl-3,3-dimethylcyclopropanecarboxylic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
176.060407357 u |
| Formula |
C8H13ClO2 |
| InChI |
InChI=1S/C8H13ClO2/c1-8(2)5(4-9)6(8)7(10)11-3/h5-6H,4H2,1-3H3 |
| InChIKey |
UBMKHRJORFDQMF-UHFFFAOYSA-N |
| Molecular Weight |
176.643 g/mol |
| SMILES |
C1(C(C(OC)=O)C1(C)C)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855757 |
