| SpectraBase Spectrum ID |
C5gQJYHZUa2 |
| Name |
4'-Hexylbenzoin; ethanone, 1-(4-hexylphenyl)-2-hydroxy-2-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-2-3-4-6-9-16-12-14-18(15-13-16)20(22)19(21)17-10-7-5-8-11-17/h5,7-8,10-15,19,21H,2-4,6,9H2,1H3 |
| InChIKey |
MKTMGNXTTOKKCU-UHFFFAOYSA-N |
| Molecular Weight |
296.410 g/mol |
| SMILES |
OC(C1=CC=CC=C1)C(C1=CC=C(C=C1)CCCCCC)=O |
| Spectrum/Structure Validation Score (Raman) |
0.822338 |
