SpectraBase Spectrum ID |
FltrsRwkcU8 |
Name |
Carbonic acid, monoamide, N-propyl-N-decyl-, octyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
355.345029691 u |
Formula |
C22H45NO2 |
InChI |
InChI=1S/C22H45NO2/c1-4-7-9-11-13-14-15-17-20-23(19-6-3)22(24)25-21-18-16-12-10-8-5-2/h4-21H2,1-3H3 |
InChIKey |
CKEHSXUBKATHHD-UHFFFAOYSA-N |
Molecular Weight |
355.607 g/mol |
SMILES |
C(=O)(OCCCCCCCC)N(CCC)CCCCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968584 |