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7-(Acetyl)amino-4-methylcoumarin

View entire compound with spectra: 1 FTIR

7-(Acetyl)amino-4-methylcoumarin
SpectraBase Compound ID 5L5KWvgtYkB
InChI InChI=1S/C12H11NO3/c1-7-5-12(15)16-11-6-9(13-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,14)
InChIKey AOVJSWHKUGNIDY-UHFFFAOYSA-N
Mol Weight 217.22 g/mol
Molecular Formula C12H11NO3
Exact Mass 217.073893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CuGDgY6oaZ9
Name 7-(Acetyl)amino-4-methylcoumarin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 217.073893215 u
Formula C12H11NO3
InChI InChI=1S/C12H11NO3/c1-7-5-12(15)16-11-6-9(13-8(2)14)3-4-10(7)11/h3-6H,1-2H3,(H,13,14)
InChIKey AOVJSWHKUGNIDY-UHFFFAOYSA-N
Molecular Weight 217.224 g/mol
SMILES C1(=CC=C2C(=C1)OC(=O)C=C2C)NC(C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978634