SpectraBase Spectrum ID |
3o6MitInAlZ |
Name |
Cyclobutanecarboxamide, N-(2-phenylethyl)-N-butyl- |
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/c1-2-3-13-18(17(19)16-10-7-11-16)14-12-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14H2,1H3 |
InChIKey |
PZFBSQMIFBCWEG-UHFFFAOYSA-N |
Molecular Weight |
259.393 g/mol |
SMILES |
C1(=CC=CC=C1)CCN(C(=O)C1CCC1)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831668 |