SpectraBase Spectrum ID |
K0ln8LeUcHU |
Name |
Ethanone, 2-[(3-nitrobenzoyl)oxy]-1-phenyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
285.063722453 u |
Formula |
C15H11NO5 |
InChI |
InChI=1S/C15H11NO5/c17-14(11-5-2-1-3-6-11)10-21-15(18)12-7-4-8-13(9-12)16(19)20/h1-9H,10H2 |
InChIKey |
IFIHMSKEYNMJPE-UHFFFAOYSA-N |
SMILES |
C(OCC(=O)C1=CC=CC=C1)(=O)C1=CC(N(=O)=O)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947639 |