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Cymopolone
SpectraBase Compound ID DLWAHszfhex
InChI InChI=1S/C16H19BrO3/c1-10(2)5-4-6-11(3)7-14(18)12-8-16(20)13(17)9-15(12)19/h5,7-9,19-20H,4,6H2,1-3H3/b11-7+
InChIKey VJTRXVYGZCUUJN-YRNVUSSQSA-N
Mol Weight 339.23 g/mol
Molecular Formula C16H19BrO3
Exact Mass 338.051757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXhdSjEdOf0
Name (2E)-1-(4-bromo-2,5-dihydroxy-phenyl)-3,7-dimethyl-octa-2,6-dien-1-one
Alternate Name(s) (2E)-1-(4-bromo-2,5-dihydroxyphenyl)-3,7-dimethyl-1-octa-2,6-dienone (2E)-1-[4-bromanyl-2,5-bis(oxidanyl)phenyl]-3,7-dimethyl-octa-2,6-dien-1-one
CAS Registry Number 62008-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO3
InChI InChI=1S/C16H19BrO3/c1-10(2)5-4-6-11(3)7-14(18)12-8-16(20)13(17)9-15(12)19/h5,7-9,19-20H,4,6H2,1-3H3/b11-7+
InChIKey VJTRXVYGZCUUJN-YRNVUSSQSA-N
Molecular Weight 339.229 g/mol
SMILES Oc1cc(c(cc1Br)O)C(\C=C\(CCC=C(C)C)C)=O
SPLASH splash10-0a4i-0090000000-af2bc7af0a565504e9ba
Source of Spectrum KC-1976-1699-0
Wiley ID 1333504