| SpectraBase Spectrum ID |
A7a3aDVIQ7H |
| Name |
Bicyclo[2.2.1]heptane-2-carboxylic acid, 2,7-dimethyl-, methyl ester, (exo,syn)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
182.130679818 u |
| Formula |
C11H18O2 |
| InChI |
InChI=1S/C11H18O2/c1-7-8-4-5-9(7)11(2,6-8)10(12)13-3/h7-9H,4-6H2,1-3H3 |
| InChIKey |
PHVNTKLXONUTTQ-UHFFFAOYSA-N |
| Molecular Weight |
182.263 g/mol |
| SMILES |
C1(C2C(C)C(C1)CC2)(C(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.987886 |
![Bicyclo[2.2.1]heptane-2-carboxylic acid, 2,7-dimethyl-, methyl ester, (exo,syn)-](/api/spectrum/A7a3aDVIQ7H/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-carboxylic acid, 2,7-dimethyl-, methyl ester, (exo,syn)-")
