| SpectraBase Spectrum ID |
Fz6M8v7WwkS |
| Name |
Bicyclo[3.2.1]octane-2-carboxylic acid, 4-bromo-3-chloro-7-oxo-6-oxa-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.960749562 u |
| Formula |
C10H12BrClO4 |
| InChI |
InChI=1S/C10H12BrClO4/c1-2-15-10(14)6-4-3-5(16-9(4)13)7(11)8(6)12/h4-8H,2-3H2,1H3 |
| InChIKey |
JKKDXLXBGLGRJZ-UHFFFAOYSA-N |
| Molecular Weight |
311.559 g/mol |
| SMILES |
C1(C2OC(C(C2)C(C1Cl)C(OCC)=O)=O)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950006 |
![Bicyclo[3.2.1]octane-2-carboxylic acid, 4-bromo-3-chloro-7-oxo-6-oxa-, ethyl ester](/api/spectrum/Fz6M8v7WwkS/structure.png?h=300&w=458 "Bicyclo[3.2.1]octane-2-carboxylic acid, 4-bromo-3-chloro-7-oxo-6-oxa-, ethyl ester")
