| SpectraBase Spectrum ID |
IVoHqYtEXg6 |
| 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/c1-25-17-8-11-5-6-21(10-22)14(13(11)9-16(17)24)7-12-3-4-15(23)19(26-2)18(12)20/h3-4,8-10,14,23-24H,5-7H2,1-2H3 |
| InChIKey |
LHJIWVRZLJPEFI-UHFFFAOYSA-N |
| Molecular Weight |
422.275 g/mol |
| SMILES |
C1(=C(C=C2C(=C1)C(N(CC2)C=O)CC=1C=CC(=C(OC)C1Br)O)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829267 |
