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3-HYDROXYCYMOPOLONE
SpectraBase Compound ID 8duby7HNero
InChI InChI=1S/C16H21BrO4/c1-10(2)5-4-6-16(3,21)9-15(20)11-7-14(19)12(17)8-13(11)18/h5,7-8,18-19,21H,4,6,9H2,1-3H3
InChIKey YBJQYGUPGUBPII-UHFFFAOYSA-N
Mol Weight 357.24 g/mol
Molecular Formula C16H21BrO4
Exact Mass 356.062322 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EfCcENEoqhC
Name 1-(4-bromo-2,5-dihydroxy-phenyl)-3-hydroxy-3,7-dimethyl-oct-6-en-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrO4
InChI InChI=1S/C16H21BrO4/c1-10(2)5-4-6-16(3,21)9-15(20)11-7-14(19)12(17)8-13(11)18/h5,7-8,18-19,21H,4,6,9H2,1-3H3
InChIKey YBJQYGUPGUBPII-UHFFFAOYSA-N
Molecular Weight 357.244 g/mol
SMILES OC(CC(c1c(cc(c(c1)O)Br)O)=O)(CCC=C(C)C)C
SPLASH splash10-0a4i-0092000000-f51226e258b9a0c400ab
Source of Spectrum G4-65-332-2
Synonyms 1-(4-bromo-2,5-dihydroxyphenyl)-3-hydroxy-3,7-dimethyl-6-octen-1-one 1-[4-bromanyl-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-3-oxidanyl-oct-6-en-1-one
Wiley ID 1639372