| SpectraBase Spectrum ID |
BikDJaBxdZb |
| Name |
7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 1,3,3-trimethyl-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.141244501 u |
| Formula |
C12H20O3 |
| InChI |
InChI=1S/C12H20O3/c1-5-14-10(13)9-11(2,3)8-6-7-12(9,4)15-8/h8-9H,5-7H2,1-4H3 |
| InChIKey |
TXSJAHQJEAKOIE-UHFFFAOYSA-N |
| Molecular Weight |
212.289 g/mol |
| SMILES |
C12(C(C(C)(C)C(O2)CC1)C(=O)OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.989451 |
![7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 1,3,3-trimethyl-, ethyl ester](/api/spectrum/BikDJaBxdZb/structure.png?h=300&w=458 "7-Oxabicyclo[2.2.1]heptane-2-carboxylic acid, 1,3,3-trimethyl-, ethyl ester")
