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Diglycolic acid, ethyl 4-nitrophenyl ester
SpectraBase Compound ID KA43jTCDf6U
InChI InChI=1S/C12H13NO7/c1-2-19-11(14)7-18-8-12(15)20-10-5-3-9(4-6-10)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey PMTHQAUIUHXPOO-UHFFFAOYSA-N
Mol Weight 283.24 g/mol
Molecular Formula C12H13NO7
Exact Mass 283.069202 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ErzV2hUNJQk
Name Diglycolic acid, ethyl 4-nitrophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 283.069201756 u
Formula C12H13NO7
InChI InChI=1S/C12H13NO7/c1-2-19-11(14)7-18-8-12(15)20-10-5-3-9(4-6-10)13(16)17/h3-6H,2,7-8H2,1H3
InChIKey PMTHQAUIUHXPOO-UHFFFAOYSA-N
SMILES C(COCC(=O)OCC)(=O)OC1=CC=C(C=C1)N(=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.970468