SpectraBase Spectrum ID |
3MvOWwIMNHv |
Name |
Myristamide, N-benzyl-N-hexyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
401.365765136 u |
Formula |
C27H47NO |
InChI |
InChI=1S/C27H47NO/c1-3-5-7-9-10-11-12-13-14-15-19-23-27(29)28(24-20-8-6-4-2)25-26-21-17-16-18-22-26/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3 |
InChIKey |
PBXPERCUCGWUMD-UHFFFAOYSA-N |
Molecular Weight |
401.679 g/mol |
SMILES |
C(N(CCCCCC)CC1=CC=CC=C1)(=O)CCCCCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890056 |