SpectraBase Spectrum ID |
KcTAdZYfFID |
Name |
Oxalic acid, monoamide, N-(2-ethylhexyl)-, hexyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
285.230393859 u |
Formula |
C16H31NO3 |
InChI |
InChI=1S/C16H31NO3/c1-4-7-9-10-12-20-16(19)15(18)17-13-14(6-3)11-8-5-2/h14H,4-13H2,1-3H3,(H,17,18) |
InChIKey |
OERAXYZNTNTPFC-UHFFFAOYSA-N |
SMILES |
C(CCCCOC(C(=O)NCC(CCCC)CC)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980581 |