| SpectraBase Spectrum ID |
9EkCDnIYDh9 |
| Name |
6-Ethoxy-7-methoxy-1-(3-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.142307128 u |
| Formula |
C18H20N2O4 |
| InChI |
InChI=1S/C18H20N2O4/c1-3-24-17-10-12-7-8-19-18(15(12)11-16(17)23-2)13-5-4-6-14(9-13)20(21)22/h4-6,9-11,18-19H,3,7-8H2,1-2H3 |
| InChIKey |
SMCRTHWPOSSCKG-UHFFFAOYSA-N |
| Molecular Weight |
328.368 g/mol |
| SMILES |
CCOC1=C(C=C2C(C3=CC(N(=O)=O)=CC=C3)NCCC2=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905009 |
