SpectraBase Spectrum ID |
5nJDm9YCHch |
Name |
Oxalic acid, monoamide, N-(4-ethylphenyl)-, isobutyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.136493473 u |
Formula |
C14H19NO3 |
InChI |
InChI=1S/C14H19NO3/c1-4-11-5-7-12(8-6-11)15-13(16)14(17)18-9-10(2)3/h5-8,10H,4,9H2,1-3H3,(H,15,16) |
InChIKey |
PLMPTGDOLYAVAF-UHFFFAOYSA-N |
Molecular Weight |
249.310 g/mol |
SMILES |
CC(C)COC(C(=O)NC1=CC=C(CC)C=C1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953382 |