| SpectraBase Spectrum ID |
5ksQBhQoJPG |
| Name |
Benzenamine, N-[(4-chloro-2H-1-benzopyran-3-yl)methylene]-4-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.071306393 u |
| Formula |
C17H14ClNO2 |
| InChI |
InChI=1S/C17H14ClNO2/c1-20-14-8-6-13(7-9-14)19-10-12-11-21-16-5-3-2-4-15(16)17(12)18/h2-10H,11H2,1H3/b19-10+ |
| InChIKey |
FRODMPQWWIPPRJ-VXLYETTFSA-N |
| SMILES |
C1(=C(\C=N\C2=CC=C(C=C2)OC)COC=2C1=CC=CC2)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874873 |
![Benzenamine, N-[(4-chloro-2H-1-benzopyran-3-yl)methylene]-4-methoxy-](/api/spectrum/5ksQBhQoJPG/structure.png?h=300&w=458 "Benzenamine, N-[(4-chloro-2H-1-benzopyran-3-yl)methylene]-4-methoxy-")
