SpectraBase Spectrum ID |
CJfTgtDjl95 |
Name |
Butyramide, N-allyl-N-undecyl-4-(4-methoxyphenyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
387.313729562 u |
Formula |
C25H41NO2 |
InChI |
InChI=1S/C25H41NO2/c1-4-6-7-8-9-10-11-12-13-22-26(21-5-2)25(27)16-14-15-23-17-19-24(28-3)20-18-23/h5,17-20H,2,4,6-16,21-22H2,1,3H3 |
InChIKey |
PNWBCCDIMDWTIP-UHFFFAOYSA-N |
Molecular Weight |
387.608 g/mol |
SMILES |
C(N(CCCCCCCCCCC)CC=C)(=O)CCCC1=CC=C(OC)C=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915785 |