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9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID KYT0I9TF1nH
InChI InChI=1S/C20H20O5/c1-24-17-10-11(8-9-12(17)21)18-19-13(22)4-2-6-15(19)25-16-7-3-5-14(23)20(16)18/h8-10,18,21H,2-7H2,1H3
InChIKey UMPROAWIQHDPNU-UHFFFAOYSA-N
Mol Weight 340.38 g/mol
Molecular Formula C20H20O5
Exact Mass 340.131074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52YkTXV1X6
Name 9-(4-hydroxy-3-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Appearance Beige solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O5
InChI InChI=1S/C20H20O5/c1-24-17-10-11(8-9-12(17)21)18-19-13(22)4-2-6-15(19)25-16-7-3-5-14(23)20(16)18/h8-10,18,21H,2-7H2,1H3
InChIKey UMPROAWIQHDPNU-UHFFFAOYSA-N
Instrument Name SHIMADZU GCMS-QP5050A
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4214
Molecular Weight 340.375 g/mol
SMILES Oc1c(cc(cc1)C1C2=C(OC3=C1C(CCC3)=O)CCCC2=O)OC
SPLASH splash10-05tf-1049000000-ec33cd3d3a3abada0e29
Source of Spectrum Y-58-778-1
Wiley ID 1879382