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BAEOMYCESINSAEURE
SpectraBase Compound ID 1AqrOFeDoco
InChI InChI=1S/C19H18O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-7,21-22H,1-4H3,(H,23,24)
InChIKey DUIBXZLCROUOFD-UHFFFAOYSA-N
Mol Weight 374.35 g/mol
Molecular Formula C19H18O8
Exact Mass 374.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQs8OJMvuPD
Name 4-(3-Methanoyl-4-methoxy-6-methyl-2-oxidanyl-phenyl)carbonyloxy-3,6-dimethyl-2-oxidanyl-benzoic acid
CAS Registry Number 644-66-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O8
InChI InChI=1S/C19H18O8/c1-8-5-12(10(3)16(21)14(8)18(23)24)27-19(25)15-9(2)6-13(26-4)11(7-20)17(15)22/h5-7,21-22H,1-4H3,(H,23,24)
InChIKey DUIBXZLCROUOFD-UHFFFAOYSA-N
Molecular Weight 374.345 g/mol
SMILES Oc1c(c(cc(c1C(=O)O)C)OC(c1c(c(C=O)c(cc1C)OC)O)=O)C
SPLASH splash10-0006-0900000000-5fb781aa8678869e08d8
Source of Spectrum B-28-1123-0
Synonyms 4-[(3-formyl-2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-2-hydroxy-3,6-dimethylbenzoic acid Baeomycesic acid 4-(3-formyl-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
Wiley ID 1356519