| SpectraBase Spectrum ID |
KVMArPfe0Bn |
| Name |
Trans-1-cyano-3-(2,3-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-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 |
368.173607257 u |
| Formula |
C21H24N2O4 |
| InChI |
InChI=1S/C21H24N2O4/c1-23-16(14-7-6-8-18(24-2)21(14)27-5)9-13-10-19(25-3)20(26-4)11-15(13)17(23)12-22/h6-8,10-11,16-17H,9H2,1-5H3/t16-,17+/m0/s1 |
| InChIKey |
SMMKBRSIRQVGJB-DLBZAZTESA-N |
| Molecular Weight |
368.433 g/mol |
| SMILES |
[C@]1(N([C@@](C2=C(C1)C=C(C(=C2)OC)OC)(C#N)[H])C)(C=1C(=C(OC)C=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.857675 |
