| SpectraBase Spectrum ID |
5webArid51Q |
| Name |
2.beta.-Hydroxyclovan-9-one |
| 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)8-12(17)15-7-5-11(16)14(3,9-15)6-4-10(13)15/h10,12,17H,4-9H2,1-3H3/t10-,12+,14+,15-/m0/s1 |
| InChIKey |
PPXUZWLSHJRKOK-BTQDYEIMSA-N |
| Molecular Weight |
236.355 g/mol |
| SMILES |
[C@]123[C@](C(C)(C)C[C@]3(O)[H])(CC[C@@](C1)(C)C(CC2)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884246 |
