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(S)-4-((E)-2-Ethoxycarbonyl-1-methyl-vinyl)-2',2'-dimethyl-4',5'-dihydro-[2,4']bioxazolyl-3'-carboxylic acid benzyl ester

View entire compound with spectra: 1 MS (GC)

(S)-4-((E)-2-Ethoxycarbonyl-1-methyl-vinyl)-2',2'-dimethyl-4',5'-dihydro-[2,4']bioxazolyl-3'-carboxylic acid benzyl ester
SpectraBase Compound ID 1AY7EgJ6oy4
InChI InChI=1S/C22H26N2O6/c1-5-27-19(25)11-15(2)17-13-28-20(23-17)18-14-30-22(3,4)24(18)21(26)29-12-16-9-7-6-8-10-16/h6-11,13,18H,5,12,14H2,1-4H3/b15-11+/t18-/m0/s1
InChIKey FTIIFVSJPQWRTR-OTMARIDSSA-N
Mol Weight 414.46 g/mol
Molecular Formula C22H26N2O6
Exact Mass 414.179087 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhlRjumCLJn
Name (S)-4-((E)-2-Ethoxycarbonyl-1-methyl-vinyl)-2',2'-dimethyl-4',5'-dihydro-[2,4']bioxazolyl-3'-carboxylic acid benzyl ester
Alternate Name(s) (S,E)-benzyl 4-(4-(4-ethoxy-4-oxobut-2-en-2-yl)oxazol-2-yl)-2,2-dimethyloxazolidine-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26N2O6
InChI InChI=1S/C22H26N2O6/c1-5-27-19(25)11-15(2)17-13-28-20(23-17)18-14-30-22(3,4)24(18)21(26)29-12-16-9-7-6-8-10-16/h6-11,13,18H,5,12,14H2,1-4H3/b15-11+/t18-/m0/s1
InChIKey FTIIFVSJPQWRTR-OTMARIDSSA-N
Literature Reference DOI 10.1021/ol900893e
Molecular Weight 414.458 g/mol
SMILES CC1(OC[C@@](c2nc(co2)\C(=C\C(OCC)=O)C)(N1C(OCc1ccccc1)=O)[H])C
SPLASH splash10-0006-9002000000-e05474e359aacead343f
Source of Spectrum A1-11-2756/SMS27-22
Wiley ID 1756860