| SpectraBase Spectrum ID |
JDoYpYDoKtT |
| Name |
5,6,8,13,13A,14-Hexahydro-12-hydroxymethyl-11-methoxyisoquino[3,2-B][3]benzazepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.172878983 u |
| Formula |
C20H23NO2 |
| InChI |
InChI=1S/C20H23NO2/c1-23-20-7-6-14-8-9-21-12-16-5-3-2-4-15(16)10-17(21)11-18(14)19(20)13-22/h2-7,17,22H,8-13H2,1H3 |
| InChIKey |
QEPGCOCXYQWCQC-UHFFFAOYSA-N |
| Molecular Weight |
309.409 g/mol |
| SMILES |
C12N(CCC3=CC=C(C(=C3C2)CO)OC)CC2=C(C1)C=CC=C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936177 |
![5,6,8,13,13a,14-Hexahydro-12-hydroxymethyl-11-methoxyisoquino[3,2-b][3]benzazepine](/api/spectrum/JDoYpYDoKtT/structure.png?h=300&w=458 "5,6,8,13,13a,14-Hexahydro-12-hydroxymethyl-11-methoxyisoquino[3,2-b][3]benzazepine")
