| SpectraBase Spectrum ID |
6K0Alw88Y93 |
| Name |
7-Methoxy-1-(5-methoxy-2-nitrophenyl)-3,4-dihydroisoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.111006999 u |
| Formula |
C17H16N2O4 |
| InChI |
InChI=1S/C17H16N2O4/c1-22-12-4-3-11-7-8-18-17(14(11)9-12)15-10-13(23-2)5-6-16(15)19(20)21/h3-6,9-10H,7-8H2,1-2H3 |
| InChIKey |
GKPGOLHLVDNBEN-UHFFFAOYSA-N |
| Molecular Weight |
312.325 g/mol |
| SMILES |
C1=CC2=C(C=C1OC)C(=NCC2)C1=C(C=CC(=C1)OC)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900585 |
