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MEXOTICIN
SpectraBase Compound ID 4TChe21RKGk
InChI InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3
InChIKey JVCJUTNJQMKKCK-UHFFFAOYSA-N
Mol Weight 308.33 g/mol
Molecular Formula C16H20O6
Exact Mass 308.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Oy45Qg2unp
Name 5,7-Dimethoxy-8-[3-methyl-2,3-bis(oxidanyl)butyl]chromen-2-one
CAS Registry Number 18196-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O6
InChI InChI=1S/C16H20O6/c1-16(2,19)13(17)7-10-12(21-4)8-11(20-3)9-5-6-14(18)22-15(9)10/h5-6,8,13,17,19H,7H2,1-4H3
InChIKey JVCJUTNJQMKKCK-UHFFFAOYSA-N
Molecular Weight 308.330 g/mol
SMILES OC(C(Cc1c2c(C=CC(O2)=O)c(cc1OC)OC)O)(C)C
SPLASH splash10-0a4i-3290000000-0951f0e8634e32c94b6d
Source of Spectrum CD-376-0-0
Synonyms 8-(2,3-dihydroxy-3-methyl-butyl)-5,7-dimethoxy-chromen-2-one Isomexoticin 8-(2,3-dihydroxy-3-methyl-butyl)-5,7-dimethoxy-coumarin 8-(2,3-dihydroxy-3-methylbutyl)-5,7-dimethoxy-1-benzopyran-2-one Mexoticin
Wiley ID 1309649