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4-Bromo-2,5-dihydroxyphenyl 2',6'-Dimethyl-6'-hydroxyhept-2'-enyl Ketone
SpectraBase Compound ID FlIBWW1saEr
InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h5,8-9,19-21H,4,6-7H2,1-3H3/b10-5+
InChIKey IDHSHCFMXSIRIS-BJMVGYQFSA-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 7AzlBOfdah9
Name 4-Bromo-2,5-dihydroxyphenyl 2',6'-Dimethyl-6'-hydroxyhept-2'-enyl Ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrO4
InChI InChI=1S/C16H21BrO4/c1-10(5-4-6-16(2,3)21)7-13(18)11-8-15(20)12(17)9-14(11)19/h5,8-9,19-21H,4,6-7H2,1-3H3/b10-5+
InChIKey IDHSHCFMXSIRIS-BJMVGYQFSA-N
Molecular Weight 357.244 g/mol
SMILES OC(CC\C=C\(CC(c1c(cc(c(c1)O)Br)O)=O)C)(C)C
SPLASH splash10-0a4i-0091000000-72f5cfb452a2e025e800
Source of Spectrum X2-50-736-4
Synonyms (3E)-1-(4-bromo-2,5-dihydroxyphenyl)-7-hydroxy-3,7-dimethyl-3-octen-1-one
Wiley ID 1602364