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2-Aminoethyl 2-oxo-2H-chromene-3-carboxylate

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2-Aminoethyl 2-oxo-2H-chromene-3-carboxylate
SpectraBase Compound ID B08KRhW2u9F
InChI InChI=1S/C12H11NO4/c13-5-6-16-11(14)9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7H,5-6,13H2
InChIKey BXUZUXQJKGFHCF-UHFFFAOYSA-N
Mol Weight 233.22 g/mol
Molecular Formula C12H11NO4
Exact Mass 233.068808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID O0Rym1BGBO
Name 2-Aminoethyl 2-oxo-2H-chromene-3-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 233.068807834 u
Formula C12H11NO4
InChI InChI=1S/C12H11NO4/c13-5-6-16-11(14)9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7H,5-6,13H2
InChIKey BXUZUXQJKGFHCF-UHFFFAOYSA-N
Molecular Weight 233.223 g/mol
SMILES C1=CC=CC2=C1OC(=O)C(=C2)C(OCCN)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983334