SpectraBase Spectrum ID |
8pwvseSBaS |
Name |
Pent-4-enoyl amide, 2-methyl-N-decyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.240564621 u |
Formula |
C16H31NO |
InChI |
InChI=1S/C16H31NO/c1-4-6-7-8-9-10-11-12-14-17-16(18)15(3)13-5-2/h5,15H,2,4,6-14H2,1,3H3,(H,17,18) |
InChIKey |
LCJJEIYIHFTZDX-UHFFFAOYSA-N |
Molecular Weight |
253.430 g/mol |
SMILES |
C(=O)(NCCCCCCCCCC)C(CC=C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956711 |