| SpectraBase Spectrum ID |
CBsYYKoXMmq |
| Name |
3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.124070241 u |
| Formula |
C15H21ClN2O3 |
| InChI |
InChI=1S/C15H20N2O3.ClH/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;1H |
| InChIKey |
GZSMZOZGZVJTLF-UHFFFAOYSA-N |
| Molecular Weight |
312.797 g/mol |
| SMILES |
Cl.N(=O)(=O)C=1C=CC=C(C1)C(CCN1CCCCCC1)=O |
| Spectrum/Structure Validation Score (Raman) |
0.972569 |
