| SpectraBase Spectrum ID |
2qWLsCw03Xc |
| Name |
2-Methyl-4-(4-methyoxy-3-acetoxyphenyl)-8-(acetylamino)-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/c1-13(24)22-19-7-5-6-16-17(11-23(3)12-18(16)19)15-8-9-20(26-4)21(10-15)27-14(2)25/h5-10,17H,11-12H2,1-4H3,(H,22,24) |
| InChIKey |
HPDBXSKNSCXDFO-UHFFFAOYSA-N |
| Molecular Weight |
368.433 g/mol |
| SMILES |
C12=C(C(C=3C=C(OC(=O)C)C(=CC3)OC)CN(C1)C)C=CC=C2NC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961213 |
