| SpectraBase Spectrum ID |
LU8Vax4hFM9 |
| Name |
(1S,2R,5S)-2-((R)-1-Hydroxy-3-phenylpropyl)bicyclo[3.2.1]oct-6-en-3-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.146329882 u |
| Formula |
C17H20O2 |
| InChI |
InChI=1S/C17H20O2/c18-15(9-7-12-4-2-1-3-5-12)17-14-8-6-13(10-14)11-16(17)19/h1-6,8,13-15,17-18H,7,9-11H2/t13-,14-,15-,17-/m1/s1 |
| InChIKey |
OPZLWNNDBHBNGR-KCYZZUKISA-N |
| Molecular Weight |
256.345 g/mol |
| SMILES |
[C@](CCC1=CC=CC=C1)([C@@]1(C(=O)C[C@@]2([H])C[C@@]1([H])C=C2)[H])(O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900412 |
![(1S,2R,5S)-2-((R)-1-Hydroxy-3-phenylpropyl)bicyclo[3.2.1]oct-6-en-3-one](/api/spectrum/LU8Vax4hFM9/structure.png?h=300&w=458 "(1S,2R,5S)-2-((R)-1-Hydroxy-3-phenylpropyl)bicyclo[3.2.1]oct-6-en-3-one")
