| SpectraBase Spectrum ID |
5vi0TmOUEhW |
| Name |
Trans-(3-R*,8A-S*)-3,8A-dihydro-3-phenyl-8A-methylazulen-1-(2-H)-one;major_diastereomer |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.120115134 u |
| Formula |
C17H16O |
| InChI |
InChI=1S/C17H16O/c1-17-11-7-3-6-10-15(17)14(12-16(17)18)13-8-4-2-5-9-13/h2-11,14H,12H2,1H3/t14-,17+/m1/s1 |
| InChIKey |
HKQSXEIQLCGHSE-PBHICJAKSA-N |
| Molecular Weight |
236.314 g/mol |
| SMILES |
C1(=O)C[C@](C2=CC=CC=C2)(C2=CC=CC=C[C@]12C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867416 |
