| SpectraBase Spectrum ID |
4869UyRfLgQ |
| Name |
(1R,3as,5S,6as)-1-Benzyl-5-hydroxy-hexahydropentalen-2(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
230.130679818 u |
| Formula |
C15H18O2 |
| InChI |
InChI=1S/C15H18O2/c16-12-7-11-8-15(17)14(13(11)9-12)6-10-4-2-1-3-5-10/h1-5,11-14,16H,6-9H2/t11-,12-,13-,14+/m0/s1 |
| InChIKey |
RJLOFVWVZYUMSV-XDQVBPFNSA-N |
| Molecular Weight |
230.307 g/mol |
| SMILES |
[C@@]12([C@](C(=O)C[C@@]2(C[C@@](C1)(O)[H])[H])(CC=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946298 |
