SpectraBase Spectrum ID |
2TsWZoDTEad |
Name |
Methyl 2-malonamoylphenylacetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
235.084457899 u |
Formula |
C12H13NO4 |
InChI |
InChI=1S/C12H13NO4/c1-17-12(16)6-8-4-2-3-5-9(8)10(14)7-11(13)15/h2-5H,6-7H2,1H3,(H2,13,15) |
InChIKey |
NUYXYZGLBKOIOG-UHFFFAOYSA-N |
Molecular Weight |
235.239 g/mol |
SMILES |
C(CC(=O)N)(C=1C(CC(=O)OC)=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.851451 |