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(2S,3S)-3-(2-Ethoxycarbonylacetoxy)-2-methyloctanyl tosylate
SpectraBase Compound ID E9WM1OKWNZg
InChI InChI=1S/C21H32O7S/c1-5-7-8-9-19(28-21(23)14-20(22)26-6-2)17(4)15-27-29(24,25)18-12-10-16(3)11-13-18/h10-13,17,19H,5-9,14-15H2,1-4H3/t17-,19-/m0/s1
InChIKey AFVWMJPNNRIWBP-HKUYNNGSSA-N
Mol Weight 428.5 g/mol
Molecular Formula C21H32O7S
Exact Mass 428.186875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID edt4II3drK
Name (2S,3S)-3-(2-Ethoxycarbonylacetoxy)-2-methyloctanyl tosylate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O7S
InChI InChI=1S/C21H32O7S/c1-5-7-8-9-19(28-21(23)14-20(22)26-6-2)17(4)15-27-29(24,25)18-12-10-16(3)11-13-18/h10-13,17,19H,5-9,14-15H2,1-4H3/t17-,19-/m0/s1
InChIKey AFVWMJPNNRIWBP-HKUYNNGSSA-N
Molecular Weight 428.540 g/mol
SMILES c1(S(OC[C@@]([C@](CCCCC)(OC(=O)CC(=O)OCC)[H])(C)[H])(=O)=O)ccc(C)cc1
SPLASH splash10-069r-0900000000-cf46f03c97bf58d97103
Source of Spectrum J-67-3808-25
Synonyms 1-Ethyl 3-[(1S)-1-((1S)-1-methyl-2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)hexyl]malonate 1-O-ethyl 3-O-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl]propanedioate malonic acid O1-ethyl ester O3-[(1S)-1-[(1S)-1-methyl-2-tosyloxy-ethyl]hexyl]ester O1-ethyl O3-[(1S)-1-[(1S)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]hexyl]propanedioate O1-ethyl O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-octan-3-yl]propanedioate Propanedioic acid O1-ethyl ester O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl]ester Propanedioic acid O1-ethyl ester O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl] ester 1-O-ethyl 3-O-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxyoctan-3-yl] propanedioate O1-ethyl O3-[(1S)-1-[(1S)-1-methyl-2-(p-tolylsulfonyloxy)ethyl]hexyl] propanedioate O1-ethyl O3-[(2S,3S)-2-methyl-1-(4-methylphenyl)sulfonyloxy-octan-3-yl] propanedioate
Wiley ID 1569969