| SpectraBase Spectrum ID |
5wqyxFTZGzz |
| Name |
(1R*,2S*,4R*,5S*,8S*)-2,6,6,8-Tetramethyl-7-oxotricyclo[6.2.1.0(1,5)]undecane-4-carboxylic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.172544630 u |
| Formula |
C16H24O3 |
| InChI |
InChI=1S/C16H24O3/c1-9-7-10(12(17)18)11-14(2,3)13(19)15(4)5-6-16(9,11)8-15/h9-11H,5-8H2,1-4H3,(H,17,18)/t9-,10+,11+,15-,16+/m0/s1 |
| InChIKey |
WOKSITCTUGOCEC-IXJQSZJRSA-N |
| Molecular Weight |
264.365 g/mol |
| SMILES |
[C@]123[C@](C[C@]([C@@]2(C(C([C@@](CC3)(C1)C)=O)(C)C)[H])(C(=O)O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982348 |
![(1R*,2S*,4R*,5S*,8S*)-2,6,6,8-Tetramethyl-7-oxotricyclo[6.2.1.0(1,5)]undecane-4-carboxylic acid](/api/spectrum/5wqyxFTZGzz/structure.png?h=300&w=458 "(1R*,2S*,4R*,5S*,8S*)-2,6,6,8-Tetramethyl-7-oxotricyclo[6.2.1.0(1,5)]undecane-4-carboxylic acid")
