SpectraBase Spectrum ID |
KipwwqQjxIF |
Name |
Butyramide, 4-phenyl-N-hexyl- |
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/c1-2-3-4-8-14-17-16(18)13-9-12-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,12-14H2,1H3,(H,17,18) |
InChIKey |
DLHGSDSHUUPFJN-UHFFFAOYSA-N |
Molecular Weight |
247.382 g/mol |
SMILES |
C(NCCCCCC)(=O)CCCC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958883 |