SpectraBase Spectrum ID |
BkHBuMBwLmn |
Name |
Butyramide, 4-phenyl-N-propyl-N-(2-ethylhexyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.271864750 u |
Formula |
C21H35NO |
InChI |
InChI=1S/C21H35NO/c1-4-7-12-19(6-3)18-22(17-5-2)21(23)16-11-15-20-13-9-8-10-14-20/h8-10,13-14,19H,4-7,11-12,15-18H2,1-3H3 |
InChIKey |
VODFLGUCYPRISO-UHFFFAOYSA-N |
Molecular Weight |
317.517 g/mol |
SMILES |
C(C(N(CC(CCCC)CC)CCC)=O)CCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912463 |