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(1S,2S)-1-[(2-bromanyl-3,5,6-trimethoxy-4-propan-2-yl-phenyl)methyl]-3,3-dimethyl-2-prop-2-enyl-cyclohexan-1-ol
SpectraBase Compound ID CAJDbtX6amr
InChI InChI=1S/C24H37BrO4/c1-9-11-17-23(4,5)12-10-13-24(17,26)14-16-19(25)21(28-7)18(15(2)3)22(29-8)20(16)27-6/h9,15,17,26H,1,10-14H2,2-8H3/t17-,24-/m0/s1
InChIKey ICQWTGOZMDIVCU-XDHUDOTRSA-N
Mol Weight 469.5 g/mol
Molecular Formula C24H37BrO4
Exact Mass 468.187523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Yco8pvj5CD
Name (1S,2S)-1-[(2-bromanyl-3,5,6-trimethoxy-4-propan-2-yl-phenyl)methyl]-3,3-dimethyl-2-prop-2-enyl-cyclohexan-1-ol
Alternate Name(s) (1S,2S)-1-[(2-bromo-3,5,6-trimethoxy-4-propan-2-ylphenyl)methyl]-3,3-dimethyl-2-prop-2-enyl-1-cyclohexanol (1S,2S)-1-[(2-bromo-3,5,6-trimethoxy-4-propan-2-ylphenyl)methyl]-3,3-dimethyl-2-prop-2-enylcyclohexan-1-ol (1S,2S)-2-allyl-1-(2-bromo-4-isopropyl-3,5,6-trimethoxy-benzyl)-3,3-dimethyl-cyclohexanol (1S,2S)-2-allyl-1-[(2-bromo-4-isopropyl-3,5,6-trimethoxy-phenyl)methyl]-3,3-dimethyl-cyclohexanol
Comments Less than 3 mono-isotopic peaks
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Formula C24H37BrO4
InChI InChI=1S/C24H37BrO4/c1-9-11-17-23(4,5)12-10-13-24(17,26)14-16-19(25)21(28-7)18(15(2)3)22(29-8)20(16)27-6/h9,15,17,26H,1,10-14H2,2-8H3/t17-,24-/m0/s1
InChIKey ICQWTGOZMDIVCU-XDHUDOTRSA-N
Molecular Weight 469.460 g/mol
SMILES O[C@@]1(Cc2c(c(OC)c(c(c2OC)OC)C(C)C)Br)[C@](C(C)(C)CCC1)(CC=C)[H]
SPLASH splash10-0udi-0009400000-19103360c8011e76b751
Source of Spectrum F-70-7698-7
Wiley ID 1597509