| SpectraBase Spectrum ID |
3Vl3GqHy5vJ |
| Name |
N-Formyl-10-amino-10,11-dihydro-2,3,6-trimethoxydibenz(B,F)oxepine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.126322711 u |
| Formula |
C18H19NO5 |
| InChI |
InChI=1S/C18H19NO5/c1-21-14-6-4-5-12-13(19-10-20)7-11-8-16(22-2)17(23-3)9-15(11)24-18(12)14/h4-6,8-10,13H,7H2,1-3H3,(H,19,20) |
| InChIKey |
UUPFCYNHHOSGLI-UHFFFAOYSA-N |
| Molecular Weight |
329.352 g/mol |
| SMILES |
C=12OC=3C(CC(C2=CC=CC1OC)NC=O)=CC(=C(C3)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801237 |
