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MAMMEA_B/BA

View entire compound with spectra: 5 NMR, and 1 MS (GC)

MAMMEA_B/BA
SpectraBase Compound ID LtjXjYrhxx3
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey LYJWLIYDNZREPC-UHFFFAOYSA-N
Mol Weight 372.46 g/mol
Molecular Formula C22H28O5
Exact Mass 372.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3KvgCWCi7TZ
Name 8-Isobutyroyl-coumarin derivative
CAS Registry Number 521-38-0
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28O5
InChI InChI=1S/C22H28O5/c1-6-7-14-11-17(24)27-22-18(14)20(25)15(9-8-12(2)3)21(26)19(22)16(23)10-13(4)5/h8,11,13,25-26H,6-7,9-10H2,1-5H3
InChIKey LYJWLIYDNZREPC-UHFFFAOYSA-N
Literature Reference E.G. Crichton, P.G. Waterman, Phytochem. 17, 1783 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3