| SpectraBase Spectrum ID |
J4eej1Z9pSB |
| Name |
3'-Nitro-4'-(1,2,3,4-tetrahydro-2-isoquinolyl)acetophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.116092380 u |
| Formula |
C17H16N2O3 |
| InChI |
InChI=1S/C17H16N2O3/c1-12(20)14-6-7-16(17(10-14)19(21)22)18-9-8-13-4-2-3-5-15(13)11-18/h2-7,10H,8-9,11H2,1H3 |
| InChIKey |
APZLKWCDZAPTTK-UHFFFAOYSA-N |
| Molecular Weight |
296.326 g/mol |
| SMILES |
N(=O)(=O)C1=C(C=CC(=C1)C(C)=O)N1CCC=2C=CC=CC2C1 |
| Spectrum/Structure Validation Score (Raman) |
0.890316 |
