SpectraBase Spectrum ID |
5MuVN5tDBkO |
Name |
Propanamide, N,N-dibutyl-3-cyclopentyl- |
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/c1-3-5-13-17(14-6-4-2)16(18)12-11-15-9-7-8-10-15/h15H,3-14H2,1-2H3 |
InChIKey |
XWPONJHSUQRXHJ-UHFFFAOYSA-N |
Molecular Weight |
253.430 g/mol |
SMILES |
C1CCCC1CCC(N(CCCC)CCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.88435 |