| SpectraBase Spectrum ID |
JmqmW9To5xj |
| Name |
(+)-norreticuline, 6'-bromo-N-formyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.052485743 u |
| Formula |
C19H20BrNO5 |
| InChI |
InChI=1S/C19H20BrNO5/c1-25-18-7-11-3-4-21(10-22)15(13(11)8-17(18)24)5-12-6-16(23)19(26-2)9-14(12)20/h6-10,15,23-24H,3-5H2,1-2H3 |
| InChIKey |
NXFFYZUVCAUBSB-UHFFFAOYSA-N |
| Molecular Weight |
422.275 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C=O)CC1=CC(=C(C=C1Br)OC)O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919612 |
