| SpectraBase Spectrum ID |
EOK2xpqd9Cm |
| Name |
Bicyclo[2.2.1]heptane-2-acetic acid, 3,3-dimethyl-, methyl ester, endo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
196.146329882 u |
| Formula |
C12H20O2 |
| InChI |
InChI=1S/C12H20O2/c1-12(2)9-5-4-8(6-9)10(12)7-11(13)14-3/h8-10H,4-7H2,1-3H3/t8-,9-,10+/m0/s1 |
| InChIKey |
PTUXAOODWOMWAY-LPEHRKFASA-N |
| Molecular Weight |
196.290 g/mol |
| SMILES |
C1([C@@]([C@@]2(C[C@@]1(CC2)[H])[H])(CC(=O)OC)[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94762 |
![Bicyclo[2.2.1]heptane-2-acetic acid, 3,3-dimethyl-, methyl ester, endo-](/api/spectrum/EOK2xpqd9Cm/structure.png?h=300&w=458 "Bicyclo[2.2.1]heptane-2-acetic acid, 3,3-dimethyl-, methyl ester, endo-")
