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6,8-bis(hydroxymethyl)-3-butyl-7-hydroxy-4-methylcoumarin, triacetate

View entire compound with spectra: 2 NMR, and 1 FTIR

6,8-bis(hydroxymethyl)-3-butyl-7-hydroxy-4-methylcoumarin, triacetate
SpectraBase Compound ID 4QJFxPgZu6L
InChI InChI=1S/C22H26O8/c1-6-7-8-17-12(2)18-9-16(10-27-13(3)23)20(29-15(5)25)19(11-28-14(4)24)21(18)30-22(17)26/h9H,6-8,10-11H2,1-5H3
InChIKey PMBZGLJOLQKOGS-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9pColWWCLLr
Name 6,8-BIS(HYDROXYMETHYL)-3-BUTYL-7-HYDROXY-4-METHYLCOUMARIN, TRIACETATE
Source of Sample A. Cascaval, Polytechnic Institute of Iassy, Iasi, Romania
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-6-7-8-17-12(2)18-9-16(10-27-13(3)23)20(29-15(5)25)19(11-28-14(4)24)21(18)30-22(17)26/h9H,6-8,10-11H2,1-5H3
InChIKey PMBZGLJOLQKOGS-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 129-131C
Molecular Weight 418.45
Solvent CDCl3; Reference=TMS; Temperature 297K