SpectraBase Spectrum ID |
HQaoCBJ0J3h |
Name |
N-Isobutyl-4-phenoxybutyramide |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.157228918 u |
Formula |
C14H21NO2 |
InChI |
InChI=1S/C14H21NO2/c1-12(2)11-15-14(16)9-6-10-17-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H,15,16) |
InChIKey |
ZUPCMKHGZOMFJM-UHFFFAOYSA-N |
Molecular Weight |
235.327 g/mol |
SMILES |
N(C(CCCOC1=CC=CC=C1)=O)CC(C)C |
Spectrum/Structure Validation Score (Raman) |
0.970285 |