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6-Hydroxy-5-[4-hydroxy-4-(2-hydroxy-3,6-dimethyloxyphenyl)-3-oxobutyl]-7-methoxyisobenzofuran-1(3H)-one
SpectraBase Compound ID GyFL8wj5aXj
InChI InChI=1S/C21H22O9/c1-27-13-6-7-14(28-2)19(25)16(13)18(24)12(22)5-4-10-8-11-9-30-21(26)15(11)20(29-3)17(10)23/h6-8,18,23-25H,4-5,9H2,1-3H3
InChIKey ZZWRDZRFAWNPCP-UHFFFAOYSA-N
Mol Weight 418.4 g/mol
Molecular Formula C21H22O9
Exact Mass 418.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EHJlQ3hvZr2
Name 6-Hydroxy-5-[4-hydroxy-4-(2-hydroxy-3,6-dimethyloxyphenyl)-3-oxobutyl]-7-methoxyisobenzofuran-1(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O9
InChI InChI=1S/C21H22O9/c1-27-13-6-7-14(28-2)19(25)16(13)18(24)12(22)5-4-10-8-11-9-30-21(26)15(11)20(29-3)17(10)23/h6-8,18,23-25H,4-5,9H2,1-3H3
InChIKey ZZWRDZRFAWNPCP-UHFFFAOYSA-N
Molecular Weight 418.398 g/mol
SMILES Oc1c(c2c(cc1CCC(C(c1c(c(OC)ccc1OC)O)O)=O)COC2=O)OC
SPLASH splash10-0f80-0900000000-ddb97f42f4639e15c917
Source of Spectrum F4-40-3611-27
Wiley ID 1671272