| SpectraBase Spectrum ID |
ElxjjOWsTU2 |
| Name |
Benzenamine, N-[(4-chloro-6-methyl-2H-1-benzopyran-3-yl)methylene]-2-methoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.086956457 u |
| Formula |
C18H16ClNO2 |
| InChI |
InChI=1S/C18H16ClNO2/c1-12-7-8-16-14(9-12)18(19)13(11-22-16)10-20-15-5-3-4-6-17(15)21-2/h3-10H,11H2,1-2H3/b20-10+ |
| InChIKey |
VHFMMKOGCIMFIQ-KEBDBYFISA-N |
| Molecular Weight |
313.784 g/mol |
| SMILES |
C=1(C=2C(=CC=C(C2)C)OCC1\C=N\C=1C(OC)=CC=CC1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83174 |
![Benzenamine, N-[(4-chloro-6-methyl-2H-1-benzopyran-3-yl)methylene]-2-methoxy-](/api/spectrum/ElxjjOWsTU2/structure.png?h=300&w=458 "Benzenamine, N-[(4-chloro-6-methyl-2H-1-benzopyran-3-yl)methylene]-2-methoxy-")
