SpectraBase Spectrum ID |
HjLtxnqqfKq |
Name |
Glutaric acid, monoamide, N-(2-octyl)-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
271.214743795 u |
Formula |
C15H29NO3 |
InChI |
InChI=1S/C15H29NO3/c1-4-6-7-8-10-13(3)16-14(17)11-9-12-15(18)19-5-2/h13H,4-12H2,1-3H3,(H,16,17) |
InChIKey |
ZJOCAIIOFNYCOY-UHFFFAOYSA-N |
Molecular Weight |
271.401 g/mol |
SMILES |
CCCCCCC(NC(CCCC(OCC)=O)=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963002 |