SpectraBase Spectrum ID |
JjPgpIERxC7 |
Name |
Octanamide, N-propyl-N-(3-methylbutyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.256214686 u |
Formula |
C16H33NO |
InChI |
InChI=1S/C16H33NO/c1-5-7-8-9-10-11-16(18)17(13-6-2)14-12-15(3)4/h15H,5-14H2,1-4H3 |
InChIKey |
RKYZLBHUHNWZKJ-UHFFFAOYSA-N |
Molecular Weight |
255.446 g/mol |
SMILES |
C(=O)(N(CCC)CCC(C)C)CCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955564 |