SpectraBase Spectrum ID |
B7g8qn33gt1 |
Name |
Glutaric acid, monoamide, N-(2-ethylphenyl)-, ethyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
263.152143537 u |
Formula |
C15H21NO3 |
InChI |
InChI=1S/C15H21NO3/c1-3-12-8-5-6-9-13(12)16-14(17)10-7-11-15(18)19-4-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,17) |
InChIKey |
MSRCILKOKDXQAZ-UHFFFAOYSA-N |
Molecular Weight |
263.337 g/mol |
SMILES |
CCC1=CC=CC=C1NC(CCCC(OCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953635 |