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Dimethyl 2-(acetylamino)terephthalate

View entire compound with spectra: 1 FTIR

Dimethyl 2-(acetylamino)terephthalate
SpectraBase Compound ID 5feyWkBQmaN
InChI InChI=1S/C12H13NO5/c1-7(14)13-10-6-8(11(15)17-2)4-5-9(10)12(16)18-3/h4-6H,1-3H3,(H,13,14)
InChIKey RBUKAETXQLGLGD-UHFFFAOYSA-N
Mol Weight 251.24 g/mol
Molecular Formula C12H13NO5
Exact Mass 251.079373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KI8E9dfe68B
Name Dimethyl 2-(acetylamino)terephthalate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 251.079372518 u
Formula C12H13NO5
InChI InChI=1S/C12H13NO5/c1-7(14)13-10-6-8(11(15)17-2)4-5-9(10)12(16)18-3/h4-6H,1-3H3,(H,13,14)
InChIKey RBUKAETXQLGLGD-UHFFFAOYSA-N
Molecular Weight 251.238 g/mol
SMILES C1(NC(=O)C)=C(C=CC(=C1)C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.985133