| SpectraBase Spectrum ID |
IouWnmnU6Ke |
| Name |
Isoquino[2.1-B]isoquinoline, 4B,5,10,10A,11,12-hexahydro-2,12-di(hydroxy)-3,8,9-tris(methoxy)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
357.157622840 u |
| Formula |
C20H23NO5 |
| InChI |
InChI=1S/C20H23NO5/c1-24-18-5-4-11-6-15-12-8-19(25-2)16(22)7-13(12)17(23)10-21(15)9-14(11)20(18)26-3/h4-5,7-8,15,17,22-23H,6,9-10H2,1-3H3 |
| InChIKey |
JCPXWDIGXYZQKM-UHFFFAOYSA-N |
| Molecular Weight |
357.406 g/mol |
| SMILES |
C1=C(OC)C(O)=CC2=C1C1N(CC2O)CC2=C(C(OC)=CC=C2C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952759 |
![Isoquino[2.1-B]isoquinoline, 4B,5,10,10A,11,12-hexahydro-2,12-di(hydroxy)-3,8,9-tris(methoxy)-](/api/spectrum/IouWnmnU6Ke/structure.png?h=300&w=458 "Isoquino[2.1-B]isoquinoline, 4B,5,10,10A,11,12-hexahydro-2,12-di(hydroxy)-3,8,9-tris(methoxy)-")
