SpectraBase Spectrum ID |
Kpe9bVALmE6 |
Name |
Carbonic acid, monoamide, N-benzyl-N-undecyl-, octyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
417.360679755 u |
Formula |
C27H47NO2 |
InChI |
InChI=1S/C27H47NO2/c1-3-5-7-9-11-12-13-14-19-23-28(25-26-21-17-16-18-22-26)27(29)30-24-20-15-10-8-6-4-2/h16-18,21-22H,3-15,19-20,23-25H2,1-2H3 |
InChIKey |
VAQNMJLKEMPBEJ-UHFFFAOYSA-N |
Molecular Weight |
417.678 g/mol |
SMILES |
C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)OCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938047 |