| SpectraBase Spectrum ID |
JobOAVrMkcl |
| Name |
Ethyl 4-{[(2-methylprop-2-enamido)methanethioyl]amino}benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.088163554 u |
| Formula |
C14H16N2O3S |
| InChI |
InChI=1S/C14H16N2O3S/c1-4-19-13(18)10-5-7-11(8-6-10)15-14(20)16-12(17)9(2)3/h5-8H,2,4H2,1,3H3,(H2,15,16,17,20) |
| InChIKey |
NHJJKAXTXXFTCC-UHFFFAOYSA-N |
| Molecular Weight |
292.353 g/mol |
| SMILES |
C1=C(C=CC(=C1)C(OCC)=O)NC(NC(=O)C(=C)C)=S |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901869 |
![Ethyl 4-{[(2-methylprop-2-enamido)methanethioyl]amino}benzoate](/api/spectrum/JobOAVrMkcl/structure.png?h=300&w=458 "Ethyl 4-{[(2-methylprop-2-enamido)methanethioyl]amino}benzoate")
