| SpectraBase Spectrum ID |
HVcIavQRTml |
| Name |
3-(Hexahydro-1-azepinyl)-3'-nitropropiophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.147392509 u |
| Formula |
C15H20N2O3 |
| InChI |
InChI=1S/C15H20N2O3/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20/h5-7,12H,1-4,8-11H2 |
| InChIKey |
QNMJTXJJZVGMLU-UHFFFAOYSA-N |
| Molecular Weight |
276.336 g/mol |
| SMILES |
C1=C(C=CC=C1N(=O)=O)C(CCN1CCCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86439 |
