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subdivaricatic acid
SpectraBase Compound ID DPyEQ6FvzUW
InChI InChI=1S/C19H20O7/c1-4-5-11-7-13(9-15(21)17(11)18(22)23)26-19(24)16-10(2)6-12(25-3)8-14(16)20/h6-9,20-21H,4-5H2,1-3H3,(H,22,23)
InChIKey OIZOQTMCUWNJTD-UHFFFAOYSA-N
Mol Weight 360.36 g/mol
Molecular Formula C19H20O7
Exact Mass 360.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Owd0K8s4AU
Name subdivaricatic acid
Alternate Name(s) 2-Hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-propylbenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O7
InChI InChI=1S/C19H20O7/c1-4-5-11-7-13(9-15(21)17(11)18(22)23)26-19(24)16-10(2)6-12(25-3)8-14(16)20/h6-9,20-21H,4-5H2,1-3H3,(H,22,23)
InChIKey OIZOQTMCUWNJTD-UHFFFAOYSA-N
Molecular Weight 360.362 g/mol
SMILES Oc1cc(cc(c1C(=O)O)CCC)OC(c1c(cc(cc1C)OC)O)=O
SPLASH splash10-0iti-0900000000-f75aa4829196d0d279aa
Source of Spectrum B-46-301-0
Wiley ID 1348267