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1,4-Dihydroxy-2-acetyl-5,8-dihydro-3-methylnaphthalene

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

1,4-Dihydroxy-2-acetyl-5,8-dihydro-3-methylnaphthalene
SpectraBase Compound ID 4cC0kj836LJ
InChI InChI=1S/C13H14O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-4,15-16H,5-6H2,1-2H3
InChIKey QTVYSEMSNINIKR-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7xyG2GSpYTy
Name 1,4-Dihydroxy-2-acetyl-5,8-dihydro-3-methylnaphthalene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.094294308 u
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-4,15-16H,5-6H2,1-2H3
InChIKey QTVYSEMSNINIKR-UHFFFAOYSA-N
Molecular Weight 218.252 g/mol
SMILES C=1(C(=C2CC=CCC2=C(C1C)O)O)C(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.830221