| SpectraBase Spectrum ID |
JlXaZpRPUsv |
| Name |
2,7-bis(4-Nitrobenzoyl)-4-isopropyltropone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
446.111400921 u |
| Formula |
C24H18N2O7 |
| InChI |
InChI=1S/C24H18N2O7/c1-14(2)17-7-12-20(22(27)15-3-8-18(9-4-15)25(30)31)24(29)21(13-17)23(28)16-5-10-19(11-6-16)26(32)33/h3-14H,1-2H3 |
| InChIKey |
WKJRQUILKRNPOT-UHFFFAOYSA-N |
| Molecular Weight |
446.415 g/mol |
| SMILES |
C=1(C(C(=CC=C(C1)C(C)C)C(C=1C=CC(N(=O)=O)=CC1)=O)=O)C(C=1C=CC(N(=O)=O)=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956155 |
