| SpectraBase Spectrum ID |
HyDCpvG8MC0 |
| Name |
2-Pentalenemethanol, octahydro-2-hydroxy-1,3A,4,6A-tetramethyl-, [1S-(1.alpha.,2.alpha.,3A.alpha.,4.alpha.,6A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-9-5-6-11(3)10(2)13(15,8-14)7-12(9,11)4/h9-10,14-15H,5-8H2,1-4H3/t9-,10+,11+,12+,13-/m1/s1 |
| InChIKey |
DFHDFSQZTJLKFI-QNWJLWSRSA-N |
| Molecular Weight |
212.333 g/mol |
| SMILES |
[C@@]12([C@@](C[C@@]([C@]2(C)[H])(O)CO)([C@](C)(CC1)[H])C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89978 |
![2-Pentalenemethanol, octahydro-2-hydroxy-1,3a,4,6a-tetramethyl-, [1S-(1.alpha.,2.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-](/api/spectrum/HyDCpvG8MC0/structure.png?h=300&w=458 "2-Pentalenemethanol, octahydro-2-hydroxy-1,3a,4,6a-tetramethyl-, [1S-(1.alpha.,2.alpha.,3a.alpha.,4.alpha.,6a.alpha.)]-")
