SpectraBase Spectrum ID |
9Hv3Nw6ezu9 |
Name |
Isobutyramide, N-benzyl-N-propyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.162314299 u |
Formula |
C14H21NO |
InChI |
InChI=1S/C14H21NO/c1-4-10-15(14(16)12(2)3)11-13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3 |
InChIKey |
MEZSKSXGKZWTEN-UHFFFAOYSA-N |
Molecular Weight |
219.328 g/mol |
SMILES |
C(N(CCC)CC1=CC=CC=C1)(=O)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876639 |