| SpectraBase Spectrum ID |
3iyHhOi0uxu |
| Name |
Bicyclo[3.2.1]octane-2-acetic acid, 6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxo-, methyl ester, exo-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.193673997 u |
| Formula |
C18H28O5 |
| InChI |
InChI=1S/C18H28O5/c1-16(2)10-18(11-17(3)22-7-8-23-17)12(9-14(19)21-4)5-6-13(16)15(18)20/h12-13H,5-11H2,1-4H3 |
| InChIKey |
XRRBNQLRGUEDPI-UHFFFAOYSA-N |
| Molecular Weight |
324.417 g/mol |
| SMILES |
C12(C(C(C(C2)(C)C)CCC1CC(=O)OC)=O)CC1(OCCO1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813756 |
![Bicyclo[3.2.1]octane-2-acetic acid, 6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxo-, methyl ester, exo-(.+-.)-](/api/spectrum/3iyHhOi0uxu/structure.png?h=300&w=458 "Bicyclo[3.2.1]octane-2-acetic acid, 6,6-dimethyl-1-[(2-methyl-1,3-dioxolan-2-yl)methyl]-8-oxo-, methyl ester, exo-(.+-.)-")
