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(2S,3S,1'S)-1,4-Di(2,3-Dimethylbutoxy)-2-[2'-methyl-1'-(3-methoxyphenyl)propoxy]butan-3-ol
SpectraBase Compound ID EQ7w93zWuXj
InChI InChI=1S/C27H48O5/c1-18(2)21(7)14-30-16-25(28)26(17-31-15-22(8)19(3)4)32-27(20(5)6)23-11-10-12-24(13-23)29-9/h10-13,18-22,25-28H,14-17H2,1-9H3/t21?,22?,25-,26-,27-/m0/s1
InChIKey MSILJQUBLWDBCT-CMEOIZLISA-N
Mol Weight 452.7 g/mol
Molecular Formula C27H48O5
Exact Mass 452.350175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 843zZTG4056
Name (2S,3S,1'S)-1,4-Di(2,3-Dimethylbutoxy)-2-[2'-methyl-1'-(3-methoxyphenyl)propoxy]butan-3-ol
Alternate Name(s) (2S,3S)-1,4-bis(2,3-dimethylbutoxy)-3-{[(1S)-1-(3-methoxyphenyl)-2-methylpropyl]oxy}-2-butanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H48O5
InChI InChI=1S/C27H48O5/c1-18(2)21(7)14-30-16-25(28)26(17-31-15-22(8)19(3)4)32-27(20(5)6)23-11-10-12-24(13-23)29-9/h10-13,18-22,25-28H,14-17H2,1-9H3/t21?,22?,25-,26-,27-/m0/s1
InChIKey MSILJQUBLWDBCT-CMEOIZLISA-N
Molecular Weight 452.676 g/mol
SMILES O[C@]([C@@](O[C@](c1cc(OC)ccc1)(C(C)C)[H])(COCC(C(C)C)C)[H])(COCC(C(C)C)C)[H]
SPLASH splash10-0006-0391200000-e809bf205a2294539f7f
Source of Spectrum J-59-8195-4
Wiley ID 1388327