| SpectraBase Spectrum ID |
7gKF4M3y81y |
| Name |
2,4-Diacetyl-3-phenyl-tetrahydrophenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.125594437 u |
| Formula |
C16H18O3 |
| InChI |
InChI=1S/C16H18O3/c1-10(17)13-8-9-14(19)15(11(2)18)16(13)12-6-4-3-5-7-12/h3-9,13-16,19H,1-2H3 |
| InChIKey |
MWZWDWPPRGJDJL-UHFFFAOYSA-N |
| Molecular Weight |
258.317 g/mol |
| SMILES |
C1(C(C(=O)C)C(O)C=CC1C(=O)C)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833206 |
