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2-(1'-Oxo-hexadecyl)-1,3,5-trihydroxy-benzene
SpectraBase Compound ID BAhRWPSoyrE
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h16-17,23,25-26H,2-15H2,1H3
InChIKey RWIHADCQLZUZEI-UHFFFAOYSA-N
Mol Weight 364.5 g/mol
Molecular Formula C22H36O4
Exact Mass 364.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ERPtUpvdnQD
Name 2-(1'-Oxo-hexadecyl)-1,3,5-trihydroxy-benzene
CAS Registry Number 82461-11-8
Comments SHIFTCORRECTION: -0.5 PPM, REASSIGNED A.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H36O4
InChI InChI=1S/C22H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)22-20(25)16-18(23)17-21(22)26/h16-17,23,25-26H,2-15H2,1H3
InChIKey RWIHADCQLZUZEI-UHFFFAOYSA-N
Literature Reference W. Gerwick, W. Fenical, Phytochem. 21, 633 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3