SpectraBase Spectrum ID |
Ku5UGeZ1kHD |
Name |
1-Methylene-2-benzoyl-6,7-dimethoxy-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 |
309.136493473 u |
Formula |
C19H19NO3 |
InChI |
InChI=1S/C19H19NO3/c1-13-16-12-18(23-3)17(22-2)11-15(16)9-10-20(13)19(21)14-7-5-4-6-8-14/h4-8,11-12H,1,9-10H2,2-3H3 |
InChIKey |
HSVKFSXHPUJBLY-UHFFFAOYSA-N |
SMILES |
C12=C(C=C(C(=C2)OC)OC)CCN(C1=C)C(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887335 |