SpectraBase Spectrum ID |
CleaED3t2ck |
Name |
1-N-Phenylamino-4-(ethylidenedioxy)cyclohexane-1-carbaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.136493473 u |
Formula |
C15H19NO3 |
InChI |
InChI=1S/C15H19NO3/c17-12-14(16-13-4-2-1-3-5-13)6-8-15(9-7-14)18-10-11-19-15/h1-5,12,16H,6-11H2 |
InChIKey |
SSYREBGHBRIWPD-UHFFFAOYSA-N |
Molecular Weight |
261.321 g/mol |
SMILES |
C12(OCCO2)CCC(CC1)(NC1=CC=CC=C1)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849056 |