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2,4-Dihydroxybenzamide, N-acetyl-, diacetate

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2,4-Dihydroxybenzamide, N-acetyl-, diacetate
SpectraBase Compound ID ASIHzXHJaN
InChI InChI=1S/C13H13NO6/c1-7(15)14-13(18)11-5-4-10(19-8(2)16)6-12(11)20-9(3)17/h4-6H,1-3H3,(H,14,15,18)
InChIKey OTKOQQKSPBDRSS-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C13H13NO6
Exact Mass 279.074287 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID CGEN4tq8QkT
Name 2,4-Dihydroxybenzamide, N-acetyl-, diacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.074287137 u
Formula C13H13NO6
InChI InChI=1S/C13H13NO6/c1-7(15)14-13(18)11-5-4-10(19-8(2)16)6-12(11)20-9(3)17/h4-6H,1-3H3,(H,14,15,18)
InChIKey OTKOQQKSPBDRSS-UHFFFAOYSA-N
SMILES C(NC(C)=O)(=O)C1=C(C=C(C=C1)OC(C)=O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952265