| SpectraBase Spectrum ID |
BMhyjaJ0rMr |
| Name |
3-Buten-2-one, 4-(2,3,9,9A-tetrahydro-7-hydroxy-5,6-dimethoxy-1-methyl-1H-benzo[de]Q uinolin-8-yl)-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.162708221 u |
| Formula |
C19H23NO4 |
| InChI |
InChI=1S/C19H23NO4/c1-11(21)5-6-13-9-14-16-12(7-8-20(14)2)10-15(23-3)19(24-4)17(16)18(13)22/h5-6,10,14,22H,7-9H2,1-4H3/b6-5+ |
| InChIKey |
RWCDYXGWEFRPJM-AATRIKPKSA-N |
| Molecular Weight |
329.396 g/mol |
| SMILES |
C12=C3C(N(C)CCC3=CC(=C1OC)OC)CC(=C2O)\C=C\C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946786 |
![3-Buten-2-one, 4-(2,3,9,9a-tetrahydro-7-hydroxy-5,6-dimethoxy-1-methyl-1H-benzo[de]q uinolin-8-yl)-, (E)-](/api/spectrum/BMhyjaJ0rMr/structure.png?h=300&w=458 "3-Buten-2-one, 4-(2,3,9,9a-tetrahydro-7-hydroxy-5,6-dimethoxy-1-methyl-1H-benzo[de]q uinolin-8-yl)-, (E)-")
