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Sekikaic acid

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Sekikaic acid
SpectraBase Compound ID CwvQrk2bO3b
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey CPHXGYQLOSNELY-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BPXJ18jSZIZ
Name Sekikaic acid
CAS Registry Number 607-11-4
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-5-7-12-9-14(28-3)11-15(23)17(12)22(27)30-20-16(29-4)10-13(8-6-2)18(19(20)24)21(25)26/h9-11,23-24H,5-8H2,1-4H3,(H,25,26)
InChIKey CPHXGYQLOSNELY-UHFFFAOYSA-N
Instrument Name Jeol FX-100
Literature Reference E.G. Sundholm, S. Huneck, Chemica Scripta 16, 197 (1980).
NMR Standard Acetone-D6
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Acetone-D6