SpectraBase Spectrum ID |
100g9wd0nt1 |
Name |
Butyramide, 4-(4-methoxyphenyl)-N-isobutyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.172878983 u |
Formula |
C15H23NO2 |
InChI |
InChI=1S/C15H23NO2/c1-12(2)11-16-15(17)6-4-5-13-7-9-14(18-3)10-8-13/h7-10,12H,4-6,11H2,1-3H3,(H,16,17) |
InChIKey |
PRIACDFWAIBPEU-UHFFFAOYSA-N |
Molecular Weight |
249.354 g/mol |
SMILES |
C(C(=O)NCC(C)C)CCC1=CC=C(OC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.940712 |