| SpectraBase Spectrum ID |
6I7NmP8BBgx |
| Name |
Cyclopentaneacetic acid, 2-(bromomethyl)-2-methyl-3-methylene-, methyl ester, (1R-cis)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
260.041192785 u |
| Formula |
C11H17BrO2 |
| InChI |
InChI=1S/C11H17BrO2/c1-8-4-5-9(6-10(13)14-3)11(8,2)7-12/h9H,1,4-7H2,2-3H3 |
| InChIKey |
XRQALKMPNAPBSV-UHFFFAOYSA-N |
| Molecular Weight |
261.159 g/mol |
| SMILES |
C1(C(CCC1CC(=O)OC)=C)(CBr)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942219 |
