SpectraBase Spectrum ID |
2AIAEALsXc2 |
Name |
Benzaldehyde, 4-(3-methyl-1-piperidinyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
203.131014170 u |
Formula |
C13H17NO |
InChI |
InChI=1S/C13H17NO/c1-11-3-2-8-14(9-11)13-6-4-12(10-15)5-7-13/h4-7,10-11H,2-3,8-9H2,1H3 |
InChIKey |
QUJFTCQOSCFPEH-UHFFFAOYSA-N |
Molecular Weight |
203.285 g/mol |
SMILES |
C1(=CC=C(C=C1)N1CC(C)CCC1)C=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852616 |