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2,3-Dimethyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone

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

2,3-Dimethyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone
SpectraBase Compound ID C8F5xtPzvqU
InChI InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3
InChIKey VBFJJMPOYIKNHB-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GHhGDiQBLv3
Name 2,3-Dimethyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7H,6H2,1-4H3
InChIKey VBFJJMPOYIKNHB-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1(=C(C(=O)C=C(C1=O)CC=C(C)C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934025