SpectraBase Spectrum ID |
CL14XcZnDOl |
Name |
4-(4-Azatricyclo[5.2.1.0]dec-8-en-4-yl)benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.131014170 u |
Formula |
C16H17NO |
InChI |
InChI=1S/C16H17NO/c18-10-11-2-5-14(6-3-11)17-9-15-13-4-1-12(7-13)8-16(15)17/h1-6,10,12-13,15-16H,7-9H2 |
InChIKey |
SBUQKEXTGWGAPE-UHFFFAOYSA-N |
Molecular Weight |
239.318 g/mol |
SMILES |
C12N(CC1C1C=CC(C2)C1)C1=CC=C(C=O)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959025 |