| SpectraBase Spectrum ID |
EFW2bKmUMqr |
| Name |
9-Oxocaryolane-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.177630011 u |
| Formula |
C15H24O2 |
| InChI |
InChI=1S/C15H24O2/c1-13(2)8-11-10(13)4-6-14(3)9-15(11,17)7-5-12(14)16/h10-11,17H,4-9H2,1-3H3/t10-,11+,14+,15-/m1/s1 |
| InChIKey |
IENXBWLABXSOLK-FDRIWYBQSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@@]12([C@@]3([C@](CC[C@](C2)(C)C(CC1)=O)([H])C(C3)(C)C)[H])O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.861599 |
