| SpectraBase Spectrum ID |
Il7L8ih4Mzh |
| Name |
6,7-Dimethoxy-1-nitromethyl-2-phenyl-1,2,3,4-tetrahydroisoquinoline |
| 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/c1-23-17-10-13-8-9-19(14-6-4-3-5-7-14)16(12-20(21)22)15(13)11-18(17)24-2/h3-7,10-11,16H,8-9,12H2,1-2H3 |
| InChIKey |
VDAVAZRCOIWEIG-UHFFFAOYSA-N |
| Molecular Weight |
328.368 g/mol |
| SMILES |
C1(=C(C=C2C(C[N+](=O)[O-])N(C3=CC=CC=C3)CCC2=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852606 |
