| SpectraBase Spectrum ID |
8HlA1SoWyxu |
| Name |
(1R,2R,4S,6S,8S)-8-Isopropyl-2,6-dimethyl-5-oxobicyclo-[2.2.2]-octane-2-carboxylic-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
238.156894565 u |
| Formula |
C14H22O3 |
| InChI |
InChI=1S/C14H22O3/c1-7(2)9-5-11-8(3)12(15)10(9)6-14(11,4)13(16)17/h7-11H,5-6H2,1-4H3,(H,16,17)/t8-,9-,10-,11+,14+/m0/s1 |
| InChIKey |
BKASBOMQMRFTBB-MOUCOTEISA-N |
| Molecular Weight |
238.327 g/mol |
| SMILES |
C1(=O)[C@]2(C[C@@]([C@@]([C@@]1(C)[H])(C[C@]2(C(C)C)[H])[H])(C)C(=O)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979983 |
![(1R,2R,4S,6S,8S)-8-Isopropyl-2,6-dimethyl-5-oxobicyclo-[2.2.2]-octane-2-carboxylic-acid](/api/spectrum/8HlA1SoWyxu/structure.png?h=300&w=458 "(1R,2R,4S,6S,8S)-8-Isopropyl-2,6-dimethyl-5-oxobicyclo-[2.2.2]-octane-2-carboxylic-acid")
