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1,2-Naphthalenedione, 4-(2-hydroxy-3,5-dimethylphenyl)-

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

1,2-Naphthalenedione, 4-(2-hydroxy-3,5-dimethylphenyl)-
SpectraBase Compound ID 5pdD7tSXMoQ
InChI InChI=1S/C18H14O3/c1-10-7-11(2)17(20)15(8-10)14-9-16(19)18(21)13-6-4-3-5-12(13)14/h3-9,20H,1-2H3
InChIKey BBFHTHDFMBEGOZ-UHFFFAOYSA-N
Mol Weight 278.31 g/mol
Molecular Formula C18H14O3
Exact Mass 278.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H87OLilvu7z
Name 1,2-Naphthalenedione, 4-(2-hydroxy-3,5-dimethylphenyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.094294308 u
Formula C18H14O3
InChI InChI=1S/C18H14O3/c1-10-7-11(2)17(20)15(8-10)14-9-16(19)18(21)13-6-4-3-5-12(13)14/h3-9,20H,1-2H3
InChIKey BBFHTHDFMBEGOZ-UHFFFAOYSA-N
Molecular Weight 278.307 g/mol
SMILES CC1=CC(C)=C(C(=C1)C1=CC(=O)C(C2=C1C=CC=C2)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935383