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1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
SpectraBase Compound ID KtaI87NRdyE
InChI InChI=1S/C13H10O4/c1-6-5-8-9(15)3-4-10(16)12(8)13(17)11(6)7(2)14/h3-5,17H,1-2H3
InChIKey ZQLJQHMLZSOCMZ-UHFFFAOYSA-N
Mol Weight 230.22 g/mol
Molecular Formula C13H10O4
Exact Mass 230.057909 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJ859wjcRbn
Name 1,4-Naphthalenedione, 6-acetyl-5-hydroxy-7-methyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.057908798 u
Formula C13H10O4
InChI InChI=1S/C13H10O4/c1-6-5-8-9(15)3-4-10(16)12(8)13(17)11(6)7(2)14/h3-5,17H,1-2H3
InChIKey ZQLJQHMLZSOCMZ-UHFFFAOYSA-N
Molecular Weight 230.219 g/mol
SMILES C12=C(C=C(C(=C2O)C(=O)C)C)C(=O)C=CC1=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965739