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2,3,5-Trimethyl-6-(2-methylallyl)-1,4-benzoquinone

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

2,3,5-Trimethyl-6-(2-methylallyl)-1,4-benzoquinone
SpectraBase Compound ID GIozr0xPo2q
InChI InChI=1S/C13H16O2/c1-7(2)6-11-10(5)12(14)8(3)9(4)13(11)15/h1,6H2,2-5H3
InChIKey KHEDCWLAEULZNB-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 AYlHkkNDTRl
Name 2,3,5-Trimethyl-6-(2-methylallyl)-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/c1-7(2)6-11-10(5)12(14)8(3)9(4)13(11)15/h1,6H2,2-5H3
InChIKey KHEDCWLAEULZNB-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES CC(CC1=C(C)C(=O)C(C)=C(C1=O)C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971462