| SpectraBase Spectrum ID |
9qm95fMgUmN |
| Name |
5-Octyn-2-one, 7-hydroxy-4,7-dimethyl-1,1,1-triphenyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.208930140 u |
| Formula |
C28H28O2 |
| InChI |
InChI=1S/C28H28O2/c1-22(19-20-27(2,3)30)21-26(29)28(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-18,22,30H,21H2,1-3H3 |
| InChIKey |
LVJGTLBMZHVOEC-UHFFFAOYSA-N |
| Molecular Weight |
396.530 g/mol |
| SMILES |
C(C(C1=CC=CC=C1)(C1=CC=CC=C1)C=1C=CC=CC1)(CC(C#CC(O)(C)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.824792 |
