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Quinizarin, N-acetate

View entire compound with spectra: 2 NMR, and 1 FTIR

Quinizarin, N-acetate
SpectraBase Compound ID 76dUx9fI4NJ
InChI InChI=1S/C16H10O5/c1-8(17)21-12-7-6-11(18)13-14(12)16(20)10-5-3-2-4-9(10)15(13)19/h2-7,18H,1H3
InChIKey WTODJCNVSBJCJT-UHFFFAOYSA-N
Mol Weight 282.25 g/mol
Molecular Formula C16H10O5
Exact Mass 282.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID PSDzfXY2lw
Name Quinizarin, N-acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.052823417 u
Formula C16H10O5
InChI InChI=1S/C16H10O5/c1-8(17)21-12-7-6-11(18)13-14(12)16(20)10-5-3-2-4-9(10)15(13)19/h2-7,18H,1H3
InChIKey WTODJCNVSBJCJT-UHFFFAOYSA-N
Molecular Weight 282.251 g/mol
SMILES C1(=CC=C(C2=C1C(C=1C(C2=O)=CC=CC1)=O)O)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.90034