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3,7-Dihydroxycymopolone
SpectraBase Compound ID 3GL0IIF7pmV
InChI InChI=1S/C16H23BrO5/c1-15(2,21)5-4-6-16(3,22)9-14(20)10-7-13(19)11(17)8-12(10)18/h7-8,18-19,21-22H,4-6,9H2,1-3H3
InChIKey KGQBMEHTCOJIMT-UHFFFAOYSA-N
Mol Weight 375.26 g/mol
Molecular Formula C16H23BrO5
Exact Mass 374.072887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LDGP9A4hprj
Name 1-(4-bromo-2,5-dihydroxy-phenyl)-3,7-dihydroxy-3,7-dimethyl-octan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrO5
InChI InChI=1S/C16H23BrO5/c1-15(2,21)5-4-6-16(3,22)9-14(20)10-7-13(19)11(17)8-12(10)18/h7-8,18-19,21-22H,4-6,9H2,1-3H3
InChIKey KGQBMEHTCOJIMT-UHFFFAOYSA-N
Molecular Weight 375.259 g/mol
SMILES OC(CC(c1c(cc(c(c1)O)Br)O)=O)(CCCC(O)(C)C)C
SPLASH splash10-0aor-2190000000-5b705733038455b317c0
Source of Spectrum G4-65-332-3
Synonyms 1-(4-bromo-2,5-dihydroxyphenyl)-3,7-dihydroxy-3,7-dimethyl-1-octanone 1-[4-bromanyl-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-3,7-bis(oxidanyl)octan-1-one
Wiley ID 1639371