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5-(p-Methylbenzyloxy)-1-(2-bromo-3,5,6-trimethoxy-4-methylphenyl)-1-hydroxy-2,4-dimethylpentan-3-one
SpectraBase Compound ID DpYv2vwVVLN
InChI InChI=1S/C25H33BrO6/c1-14-8-10-18(11-9-14)13-32-12-15(2)21(27)16(3)22(28)19-20(26)23(29-5)17(4)24(30-6)25(19)31-7/h8-11,15-16,22,28H,12-13H2,1-7H3/t15-,16+,22+/m0/s1
InChIKey CWRWPXMBERSIQN-WJONJSRFSA-N
Mol Weight 509.4 g/mol
Molecular Formula C25H33BrO6
Exact Mass 508.146052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MLTVXdpJkl
Name 5-(p-Methylbenzyloxy)-1-(2-bromo-3,5,6-trimethoxy-4-methylphenyl)-1-hydroxy-2,4-dimethylpentan-3-one
Alternate Name(s) (1R,2S,4S)-1-(2-Bromo-3,5,6-trimethoxy-4-methyl-phenyl)-1-hydroxy-2,4-dimethyl-5-(4-methyl-benzyloxy)-pentan-3-one 1-(2-bromo-3,5,6-trimethoxy-4-methylphenyl)-1-hydroxy-2,4-dimethyl-5-[(4-methylbenzyl)oxy]-3-pentanone
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Formula C25H33BrO6
InChI InChI=1S/C25H33BrO6/c1-14-8-10-18(11-9-14)13-32-12-15(2)21(27)16(3)22(28)19-20(26)23(29-5)17(4)24(30-6)25(19)31-7/h8-11,15-16,22,28H,12-13H2,1-7H3/t15-,16+,22+/m0/s1
InChIKey CWRWPXMBERSIQN-WJONJSRFSA-N
Molecular Weight 509.437 g/mol
SMILES O[C@@](c1c(c(OC)c(c(c1OC)OC)C)Br)([C@@](C([C@](COCc1ccc(cc1)C)(C)[H])=O)(C)[H])[H]
SPLASH splash10-00dr-0794030000-7f6abdd1a4687806bc7d
Source of Spectrum SO-0-2768-9
Wiley ID 864682