| SpectraBase Spectrum ID |
6feMcOjqDHA |
| Name |
1-(4-Methoxy-phenyl)-1,3,4,5,6,7-hexahydro-2,6-benzoxazocine-6-carbonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.152477890 u |
| Formula |
C19H20N2O2 |
| InChI |
InChI=1S/C19H20N2O2/c1-22-17-9-7-15(8-10-17)19-18-6-3-2-5-16(18)13-21(14-20)11-4-12-23-19/h2-3,5-10,19H,4,11-13H2,1H3 |
| InChIKey |
HUCGHQVZORLMJU-UHFFFAOYSA-N |
| Molecular Weight |
308.381 g/mol |
| SMILES |
C(N1CC=2C(C(C3=CC=C(C=C3)OC)OCCC1)=CC=CC2)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.91356 |
