| SpectraBase Spectrum ID |
60I4iWH5hql |
| Name |
1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.100107963 u |
| Formula |
C17H15NO4 |
| InChI |
InChI=1S/C17H15NO4/c1-12(19)16(17(20)14-5-3-2-4-6-14)11-13-7-9-15(10-8-13)18(21)22/h2-10,16H,11H2,1H3 |
| InChIKey |
UUBZZRCTPYDSFL-UHFFFAOYSA-N |
| Molecular Weight |
297.310 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C(CC(C(=O)C=2C=CC=CC2)C(=O)C)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952802 |
![1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl-](/api/spectrum/60I4iWH5hql/structure.png?h=300&w=458 "1,3-Butanedione, 2-[(4-nitrophenyl)methyl]-1-phenyl-")
