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5-HYDROXY-8,8-DIMETHYL-6-[(E)-2-METHYLBUT-2-ENOYL]-4-PHENYL-2H,8H-BENZO-[1,2-B:3,4-B']-DIPYRAN-2-ONE;5-HYDROXY-COUMARIN
SpectraBase Compound ID 7bxRPMQIP6w
InChI InChI=1S/C25H22O5/c1-5-14(2)21(27)20-22(28)19-17(15-9-7-6-8-10-15)13-18(26)29-23(19)16-11-12-25(3,4)30-24(16)20/h5-13,28H,1-4H3/b14-5+
InChIKey DGRSWTASYQKAQQ-LHHJGKSTSA-N
Mol Weight 402.45 g/mol
Molecular Formula C25H22O5
Exact Mass 402.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGxd2tKn9ub
Name 5-Hydroxy-8,8-dimethyl-6-[(E)-2-methylbut-2-enoyl]-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-2-one
Alternate Name(s) 5-Hydroxy-8,8-dimethyl-6-[(2E)-2-methyl-2-butenoyl]-4-phenyl-2H,8H-pyrano[2,3-f]chromen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22O5
InChI InChI=1S/C25H22O5/c1-5-14(2)21(27)20-22(28)19-17(15-9-7-6-8-10-15)13-18(26)29-23(19)16-11-12-25(3,4)30-24(16)20/h5-13,28H,1-4H3/b14-5+
InChIKey DGRSWTASYQKAQQ-LHHJGKSTSA-N
Molecular Weight 402.446 g/mol
SMILES Oc1c2C(=CC(Oc2c2c(c1C(\C(=C\C)C)=O)OC(C=C2)(C)C)=O)c1ccccc1
SPLASH splash10-000i-0009100000-df785a6e133ae484514f
Source of Spectrum KC-0-3147-56
Wiley ID 784678