| SpectraBase Spectrum ID |
2oUwaOnlEzg |
| Name |
(2S*,3R*)-1,3-Diphenyl-2-methyl-1,4-pentandione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.130679818 u |
| Formula |
C18H18O2 |
| InChI |
InChI=1S/C18H18O2/c1-13(18(20)16-11-7-4-8-12-16)17(14(2)19)15-9-5-3-6-10-15/h3-13,17H,1-2H3/t13-,17-/m0/s1 |
| InChIKey |
FFFVUYKDDNKVDS-GUYCJALGSA-N |
| Molecular Weight |
266.340 g/mol |
| SMILES |
[C@](C(=O)C=1C=CC=CC1)([C@@](C(=O)C)(C1=CC=CC=C1)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957844 |
