SpectraBase Spectrum ID |
7Kq51Kb9wgX |
Name |
Phenyl-[(5Z)-2,3,4,7-tetrahydro-1-benzazonin-1-yl]methanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.146664235 u |
Formula |
C19H19NO |
InChI |
InChI=1S/C19H19NO/c21-19(17-12-5-3-6-13-17)20-15-9-2-1-4-10-16-11-7-8-14-18(16)20/h1,3-8,11-14H,2,9-10,15H2/b4-1- |
InChIKey |
HKXOXBJXNMIOSJ-RJRFIUFISA-N |
Molecular Weight |
277.367 g/mol |
SMILES |
C(N1C=2C(C\C=C/CCC1)=CC=CC2)(=O)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879009 |