| SpectraBase Spectrum ID |
9vkvEDi2WrE |
| Name |
(3ar,3br,6as,7R,7ar)-3A,3B,7A-Trimethyl-7-oxidanyl-2,3,4,6,6A,7-hexahydro-1H-cyclopenta[A]pentalen-5-one |
| 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/c1-12-5-4-6-14(12,3)13(2)8-9(15)7-10(13)11(12)16/h10-11,16H,4-8H2,1-3H3/t10-,11-,12+,13-,14+/m1/s1 |
| InChIKey |
BMDLJAUIXVPHGU-RGDJUOJXSA-N |
| Molecular Weight |
222.328 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](CCC3)(C)[C@@]([C@]1(CC(C2)=O)[H])(O)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965141 |
![(3aR,3bR,6aS,7R,7aR)-3a,3b,7a-trimethyl-7-oxidanyl-2,3,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-5-one](/api/spectrum/9vkvEDi2WrE/structure.png?h=300&w=458 "(3aR,3bR,6aS,7R,7aR)-3a,3b,7a-trimethyl-7-oxidanyl-2,3,4,6,6a,7-hexahydro-1H-cyclopenta[a]pentalen-5-one")
