SpectraBase Spectrum ID |
KQx7pdgCYBe |
Name |
Butyramide, 4-phenyl-N,N-dipropyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.193614428 u |
Formula |
C16H25NO |
InChI |
InChI=1S/C16H25NO/c1-3-13-17(14-4-2)16(18)12-8-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3 |
InChIKey |
NJJDUBHTBNFDPI-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(C(N(CCC)CCC)=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.815155 |