| SpectraBase Spectrum ID |
CpY3rYc7ghO |
| Name |
Isoquinoline, 1-(3,5-dimethoxybenzyl)-1,2,3,4-tetrahydro-6-methoxy-, |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.167793602 u |
| Formula |
C19H23NO3 |
| InChI |
InChI=1S/C19H23NO3/c1-21-15-4-5-18-14(11-15)6-7-20-19(18)10-13-8-16(22-2)12-17(9-13)23-3/h4-5,8-9,11-12,19-20H,6-7,10H2,1-3H3 |
| InChIKey |
JUVVFUNUWRFQJT-UHFFFAOYSA-N |
| Molecular Weight |
313.397 g/mol |
| SMILES |
C1(=CC(=CC(=C1)OC)CC1C2=C(CCN1)C=C(C=C2)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818846 |
