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Ethyl 2-{[3-(4-methoxyphenyl)-3-oxopropanthioyl]amino}acetate

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Ethyl 2-{[3-(4-methoxyphenyl)-3-oxopropanthioyl]amino}acetate
SpectraBase Compound ID 7tHW8A0IYxW
InChI InChI=1S/C14H17NO4S/c1-3-19-14(17)9-15-13(20)8-12(16)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,20)
InChIKey DGUDLFRZRAYSOJ-UHFFFAOYSA-N
Mol Weight 295.35 g/mol
Molecular Formula C14H17NO4S
Exact Mass 295.087829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8hIJv1R91Hg
Name Ethyl 2-{[3-(4-methoxyphenyl)-3-oxopropanthioyl]amino}acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.087829201 u
Formula C14H17NO4S
InChI InChI=1S/C14H17NO4S/c1-3-19-14(17)9-15-13(20)8-12(16)10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,15,20)
InChIKey DGUDLFRZRAYSOJ-UHFFFAOYSA-N
SMILES C(CNC(CC(=O)C=1C=CC(=CC1)OC)=S)(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85005