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QZDDHLKGAQQTLO-UHFFFAOYSA-N
SpectraBase Compound ID 4AQz3ZU4JPu
InChI InChI=1S/C16H21BrO4/c1-15(2,20)5-4-6-16(3)9-13(19)10-7-12(18)11(17)8-14(10)21-16/h7-8,18,20H,4-6,9H2,1-3H3
InChIKey QZDDHLKGAQQTLO-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 Jbt2N9snwoa
Name 7-Bromanyl-2-methyl-2-(4-methyl-4-oxidanyl-pentyl)-6-oxidanyl-3H-chromen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21BrO4
InChI InChI=1S/C16H21BrO4/c1-15(2,20)5-4-6-16(3)9-13(19)10-7-12(18)11(17)8-14(10)21-16/h7-8,18,20H,4-6,9H2,1-3H3
InChIKey QZDDHLKGAQQTLO-UHFFFAOYSA-N
Molecular Weight 357.244 g/mol
SMILES OC(CCCC1(CC(c2c(cc(c(c2)O)Br)O1)=O)C)(C)C
SPLASH splash10-014i-0290000000-7feafc0e361c34948aae
Source of Spectrum G4-65-333-4
Synonyms 7-Bromo-6-hydroxy-2-(4-hydroxy-4-methyl-pentyl)-2-methyl-chroman-4-one 7-Bromo-6-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one 7-Bromo-6-hydroxy-2-(4-hydroxy-4-methylpentyl)-2-methyl-3H-chromen-4-one
Wiley ID 1639370