| SpectraBase Spectrum ID |
DOanPSwQReK |
| Name |
Propanol, 2-amino-1-phenyl-N-(3,5-dinitrobenzoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.096085209 u |
| Formula |
C16H15N3O6 |
| InChI |
InChI=1S/C16H15N3O6/c1-10(15(20)11-5-3-2-4-6-11)17-16(21)12-7-13(18(22)23)9-14(8-12)19(24)25/h2-10,15,20H,1H3,(H,17,21) |
| InChIKey |
FLJIOUDJQYTYIL-UHFFFAOYSA-N |
| Molecular Weight |
345.311 g/mol |
| SMILES |
C1(N(=O)=O)=CC(C(NC(C(O)C2=CC=CC=C2)C)=O)=CC(=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898275 |
