| SpectraBase Spectrum ID |
In36N5Jo2HD |
| Name |
(3as,6R,7as)-6-Ethyl-1-keto-2,3,3A,6,7,7A-hexahydroindene-4-carboxylic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| InChI |
InChI=1S/C12H16O3/c1-2-7-5-9-8(3-4-11(9)13)10(6-7)12(14)15/h6-9H,2-5H2,1H3,(H,14,15)/t7-,8+,9+/m1/s1 |
| InChIKey |
ONMAUQRMJXNSCG-VGMNWLOBSA-N |
| Molecular Weight |
208.257 g/mol |
| SMILES |
C=1([C@@]2([C@](C(=O)CC2)([H])C[C@](C1)(CC)[H])[H])C(=O)O |
