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3-ALLYL-2,4,6-TRIHYDROXYPHENYL-CYCLOHEXYL-KETON
SpectraBase Compound ID CPccg4yCMee
InChI InChI=1S/C16H20O4/c1-2-6-11-12(17)9-13(18)14(16(11)20)15(19)10-7-4-3-5-8-10/h2,9-10,17-18,20H,1,3-8H2
InChIKey LZJCAOPPSDPGRC-UHFFFAOYSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4pzuw2d5Zan
Name 3-Allyl-2,4,6-trihydroxy-1-phenyl cyclohexyl ketone
CAS Registry Number 85602-26-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-2-6-11-12(17)9-13(18)14(16(11)20)15(19)10-7-4-3-5-8-10/h2,9-10,17-18,20H,1,3-8H2
InChIKey LZJCAOPPSDPGRC-UHFFFAOYSA-N
Instrument Name Bruker WP-80
Literature Reference T.G. Dekker, T.G. Fourie, F.O. Snyckers, Org. Magn. Resonance 22, 607 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6