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3-ALLYL-2,4,6-TRIHYDROXY-1-PHENYL-PARA-CHLORBENZYL-KETON
SpectraBase Compound ID KVq7zq5aCnC
InChI InChI=1S/C17H15ClO4/c1-2-3-12-13(19)9-15(21)16(17(12)22)14(20)8-10-4-6-11(18)7-5-10/h2,4-7,9,19,21-22H,1,3,8H2
InChIKey VKWPAOFXKOZICH-UHFFFAOYSA-N
Mol Weight 318.76 g/mol
Molecular Formula C17H15ClO4
Exact Mass 318.065887 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERQb9kRWdkS
Name 3-Allyl-2,4,6-trihydroxy-1-phenyl 4-chloro-benzyl ketone
CAS Registry Number 85602-29-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H15ClO4
InChI InChI=1S/C17H15ClO4/c1-2-3-12-13(19)9-15(21)16(17(12)22)14(20)8-10-4-6-11(18)7-5-10/h2,4-7,9,19,21-22H,1,3,8H2
InChIKey VKWPAOFXKOZICH-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