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4-Bromo-2,5-diacetoxyphenyl 2',6'-Dimethyl-6'-hydroxyhept-1'-enyl Ketone
SpectraBase Compound ID 55eeaUNSzwB
InChI InChI=1S/C20H25BrO6/c1-12(7-6-8-20(4,5)25)9-17(24)15-10-19(27-14(3)23)16(21)11-18(15)26-13(2)22/h9-11,25H,6-8H2,1-5H3/b12-9+
InChIKey UXBDBLPFJVOILT-FMIVXFBMSA-N
Mol Weight 441.32 g/mol
Molecular Formula C20H25BrO6
Exact Mass 440.083452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXrFXphxLqx
Name 4-Bromo-2,5-diacetoxyphenyl 2',6'-Dimethyl-6'-hydroxyhept-1'-enyl Ketone
Alternate Name(s) 4-(acetyloxy)-2-bromo-5-[(2E)-7-hydroxy-3,7-dimethyl-2-octenoyl]phenyl acetate 4-Bromo-2,5-diacetoxyphenyl 2',6'-Dimethyl-6'-hydroxyhept-2'-enyl Ketone
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Formula C20H25BrO6
InChI InChI=1S/C20H25BrO6/c1-12(7-6-8-20(4,5)25)9-17(24)15-10-19(27-14(3)23)16(21)11-18(15)26-13(2)22/h9-11,25H,6-8H2,1-5H3/b12-9+
InChIKey UXBDBLPFJVOILT-FMIVXFBMSA-N
Molecular Weight 441.318 g/mol
SMILES OC(CCC\C(=C\C(c1c(cc(c(c1)OC(=O)C)Br)OC(=O)C)=O)C)(C)C
SPLASH splash10-0a4i-0092300000-c19d551365201737282d
Source of Spectrum X2-50-736-5
Wiley ID 1602363