SpectraBase Spectrum ID |
7E7pWYfAspU |
Name |
Butyramide, 3-methyl-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 |
261.209264492 u |
Formula |
C17H27NO |
InChI |
InChI=1S/C17H27NO/c1-4-5-12-18(17(19)14-15(2)3)13-11-16-9-7-6-8-10-16/h6-10,15H,4-5,11-14H2,1-3H3 |
InChIKey |
PXCFUIFVXJKBQN-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)CC(C)C)CCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94426 |