| SpectraBase Spectrum ID |
HIOoy8BEyAP |
| Name |
Pentaleno[1,2-D]-1,3-dioxol-4-ol, octahydro-2,2-dimethyl-, (3A.alpha.,3B.beta.,4.alpha.,6A.beta.,7A.alpha.)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
198.125594437 u |
| Formula |
C11H18O3 |
| InChI |
InChI=1S/C11H18O3/c1-11(2)13-8-5-6-3-4-7(12)9(6)10(8)14-11/h6-10,12H,3-5H2,1-2H3/t6-,7-,8-,9+,10-/m0/s1 |
| InChIKey |
HDXUOHFSGJGVJV-WLRJLXCNSA-N |
| Molecular Weight |
198.262 g/mol |
| SMILES |
[C@@]12([C@@](OC(O2)(C)C)(C[C@]2([C@@]1([C@](CC2)(O)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.889937 |
![Pentaleno[1,2-d]-1,3-dioxol-4-ol, octahydro-2,2-dimethyl-, (3a.alpha.,3b.beta.,4.alpha.,6a.beta.,7a.alpha.)-(.+-.)-](/api/spectrum/HIOoy8BEyAP/structure.png?h=300&w=458 "Pentaleno[1,2-d]-1,3-dioxol-4-ol, octahydro-2,2-dimethyl-, (3a.alpha.,3b.beta.,4.alpha.,6a.beta.,7a.alpha.)-(.+-.)-")
