SpectraBase Spectrum ID |
9zxKKgWP5fr |
Name |
3-Cyclopentylpropionamide, N-(2-phenylethyl)-N-methyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.193614428 u |
Formula |
C17H25NO |
InChI |
InChI=1S/C17H25NO/c1-18(14-13-16-7-3-2-4-8-16)17(19)12-11-15-9-5-6-10-15/h2-4,7-8,15H,5-6,9-14H2,1H3 |
InChIKey |
LWPIGHSBWWTCCC-UHFFFAOYSA-N |
Molecular Weight |
259.393 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)CCC1CCCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904877 |