SpectraBase Spectrum ID |
Ivt9dvhTR83 |
Name |
1-(3,4-Methylenedioxyphenyl)-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 |
313.131408092 u |
Formula |
C18H19NO4 |
InChI |
InChI=1S/C18H19NO4/c1-20-15-7-11-5-6-19-18(13(11)9-16(15)21-2)12-3-4-14-17(8-12)23-10-22-14/h3-4,7-9,18-19H,5-6,10H2,1-2H3 |
InChIKey |
MYGMGHIHUCDVKW-UHFFFAOYSA-N |
Molecular Weight |
313.353 g/mol |
SMILES |
C1(NCCC=2C=C(C(=CC12)OC)OC)C=1C=C2C(=CC1)OCO2 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961566 |