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3-(3-Hydroperoxy-3-methyl-1-butenyl)-2-methyl-naphthoquinone
SpectraBase Compound ID G5U6ss7K6tZ
InChI InChI=1S/C16H16O4/c1-10-11(8-9-16(2,3)20-19)15(18)13-7-5-4-6-12(13)14(10)17/h4-9,19H,1-3H3/b9-8+
InChIKey IANAZXFTXGZZMM-CMDGGOBGSA-N
Mol Weight 272.3 g/mol
Molecular Formula C16H16O4
Exact Mass 272.104859 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lhj8XONzJUr
Name 3-(3-Hydroperoxy-3-methyl-1-butenyl)-2-methyl-naphthoquinone
CAS Registry Number 78828-09-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H16O4
InChI InChI=1S/C16H16O4/c1-10-11(8-9-16(2,3)20-19)15(18)13-7-5-4-6-12(13)14(10)17/h4-9,19H,1-3H3/b9-8+
InChIKey IANAZXFTXGZZMM-CMDGGOBGSA-N
Instrument Name Jeol FX-90
Literature Reference R.M. Wilson, S.W. Wunderly, T.F.Walsh, J. Am. Chem. Soc. 104, 4429 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3