| SpectraBase Spectrum ID |
HdLmRjgr1i3 |
| Name |
Isoquinoline, 1-[3-methoxy-5-hydroxybenzyl]-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 |
299.152143537 u |
| Formula |
C18H21NO3 |
| InChI |
InChI=1S/C18H21NO3/c1-21-15-3-4-17-13(10-15)5-6-19-18(17)9-12-7-14(20)11-16(8-12)22-2/h3-4,7-8,10-11,18-20H,5-6,9H2,1-2H3 |
| InChIKey |
CAUMVLVTPRGIMA-UHFFFAOYSA-N |
| SMILES |
C1(=CC(=CC(=C1)O)CC1C2=C(CCN1)C=C(C=C2)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.868243 |
![Isoquinoline, 1-[3-methoxy-5-hydroxybenzyl]-1,2,3,4-tetrahydro-6-methoxy-](/api/spectrum/HdLmRjgr1i3/structure.png?h=300&w=458 "Isoquinoline, 1-[3-methoxy-5-hydroxybenzyl]-1,2,3,4-tetrahydro-6-methoxy-")
