| SpectraBase Spectrum ID |
J1hg6WGNal5 |
| Name |
1,2,3,4,4A,7,8,8A - Octahydro - 1.alpha.,4A.beta.,6 - trimethyl - naphthalene - 1.beta. - carboxylic acid (configuration at C1 is [S]) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-10-5-6-11-13(2,9-10)7-4-8-14(11,3)12(15)16/h9,11H,4-8H2,1-3H3,(H,15,16)/t11?,13-,14+/m1/s1 |
| InChIKey |
FUACGLCWCAGQNA-WLPIGLKUSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]12(C([C@@](C(=O)O)(CCC2)C)CCC(=C1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966762 |
![1,2,3,4,4a,7,8,8a - octahydro - 1.alpha.,4a.beta.,6 - trimethyl - naphthalene - 1.beta. - carboxylic acid (configuration at C1 is [S])](/api/spectrum/J1hg6WGNal5/structure.png?h=300&w=458 "1,2,3,4,4a,7,8,8a - octahydro - 1.alpha.,4a.beta.,6 - trimethyl - naphthalene - 1.beta. - carboxylic acid (configuration at C1 is [S])")
