| SpectraBase Spectrum ID |
CLYk1U3yNrr |
| Name |
(4ar,6R,7R,7as)-6-Hydroxy-7-methyl-hexahydro-cyclopenta[C]pyran-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
170.094294308 u |
| Formula |
C9H14O3 |
| InChI |
InChI=1S/C9H14O3/c1-5-7-4-12-9(11)3-6(7)2-8(5)10/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8-/m1/s1 |
| InChIKey |
DPDXVBIWZBJGSX-WCTZXXKLSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
[C@@]12([C@@]([C@@](C)([C@@](C2)(O)[H])[H])(COC(C1)=O)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947801 |
![(4ar,6R,7R,7as)-6-Hydroxy-7-methyl-hexahydro-cyclopenta[C]pyran-3-one](/api/spectrum/CLYk1U3yNrr/structure.png?h=300&w=458 "(4ar,6R,7R,7as)-6-Hydroxy-7-methyl-hexahydro-cyclopenta[C]pyran-3-one")
