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(2S*,3S*)-Ethyl 3-hydroxy-2-dodecanyl-3-(4-methylphenyl)butyrate
SpectraBase Compound ID K0DhK2jLtQx
InChI InChI=1S/C25H42O3/c1-5-7-8-9-10-11-12-13-14-15-16-23(24(26)28-6-2)25(4,27)22-19-17-21(3)18-20-22/h17-20,23,27H,5-16H2,1-4H3/t23-,25-/m1/s1
InChIKey NYEZIUWCZASCPA-ILBGXUMGSA-N
Mol Weight 390.6 g/mol
Molecular Formula C25H42O3
Exact Mass 390.313395 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fc3lZmwSMRT
Name (2S*,3S*)-Ethyl 3-hydroxy-2-dodecanyl-3-(4-methylphenyl)butyrate
Alternate Name(s) (2S*,3S*)-Ethyl 3-hydroxy-2-undecanyl-3-(4-methylphenyl)butyrate Ethyl (2S)-2-[(1S)-1-hydroxy-1-(4-methylphenyl)ethyl]tetradecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H42O3
InChI InChI=1S/C25H42O3/c1-5-7-8-9-10-11-12-13-14-15-16-23(24(26)28-6-2)25(4,27)22-19-17-21(3)18-20-22/h17-20,23,27H,5-16H2,1-4H3/t23-,25-/m1/s1
InChIKey NYEZIUWCZASCPA-ILBGXUMGSA-N
Molecular Weight 390.608 g/mol
SMILES O[C@@]([C@@](C(=O)OCC)(CCCCCCCCCCCC)[H])(c1ccc(cc1)C)C
SPLASH splash10-000i-0910000000-84f2b7a9b73ce2c59141
Source of Spectrum F-70-10416-7
Wiley ID 1598059