| SpectraBase Spectrum ID |
3yiB3o6Hs4Q |
| Name |
(4ar,4bs,8R,8as,8bs)-8-Hydroxy-4B-methyl-1,2,3,4,5,6,7,8,8A,8B-decahydrobiphenylene-4A-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.172544630 u |
| Formula |
C15H24O3 |
| InChI |
InChI=1S/C15H24O3/c1-14-8-5-7-11(16)12(14)10-6-3-4-9-15(10,14)13(17)18-2/h10-12,16H,3-9H2,1-2H3/t10-,11+,12+,14-,15-/m0/s1 |
| InChIKey |
RNIHGXKNAFUCQE-HPYVJYLESA-N |
| Molecular Weight |
252.354 g/mol |
| SMILES |
[C@@]12([C@]3(CCC[C@]([C@]3([C@@]2(CCCC1)[H])[H])(O)[H])C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949722 |
