SpectraBase Spectrum ID |
EBahmOY0Jsk |
Name |
1,4-Pentanedione, 1-[2-(acetyloxy)phenyl]-3-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.120509056 u |
Formula |
C19H18O4 |
InChI |
InChI=1S/C19H18O4/c1-13(20)17(15-8-4-3-5-9-15)12-18(22)16-10-6-7-11-19(16)23-14(2)21/h3-11,17H,12H2,1-2H3 |
InChIKey |
MZUCZWAATDDKFV-UHFFFAOYSA-N |
Molecular Weight |
310.349 g/mol |
SMILES |
C(C=1C(OC(=O)C)=CC=CC1)(CC(C(=O)C)C=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859228 |