SpectraBase Spectrum ID |
EwVaUOHTDA1 |
Name |
Butyramide, 3-methyl-N-(2-phenylethyl)-N-isobutyl- |
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/c1-14(2)12-17(19)18(13-15(3)4)11-10-16-8-6-5-7-9-16/h5-9,14-15H,10-13H2,1-4H3 |
InChIKey |
KRODQBVLISRQMC-UHFFFAOYSA-N |
Molecular Weight |
261.409 g/mol |
SMILES |
C1=CC=CC(=C1)CCN(C(=O)CC(C)C)CC(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954714 |