| SpectraBase Spectrum ID |
DYv3kIpwEtf |
| Name |
Arborinine, 2,3-didemethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.068807834 u |
| Formula |
C14H11NO4 |
| InChI |
InChI=1S/C14H11NO4/c1-15-8-5-3-2-4-7(8)12(17)11-9(15)6-10(16)13(18)14(11)19/h2-6,16,18-19H,1H3 |
| InChIKey |
RIZWEWDUTMPATF-UHFFFAOYSA-N |
| Molecular Weight |
257.245 g/mol |
| SMILES |
C12=C(C(C=3C(N2C)=CC(=C(C3O)O)O)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854219 |
