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(S)-2',2'-Dimethyl-4-((E)-1-methyl-3-oxo-propenyl)-4',5'-dihydro-[2,4']bioxazolyl-3'-carboxylic acid benzyl ester
SpectraBase Compound ID E6k9ma7MhNi
InChI InChI=1S/C20H22N2O5/c1-14(9-10-23)16-12-25-18(21-16)17-13-27-20(2,3)22(17)19(24)26-11-15-7-5-4-6-8-15/h4-10,12,17H,11,13H2,1-3H3/b14-9+/t17-/m0/s1
InChIKey KFTWZCVRDAPXPQ-ZGUWOUCSSA-N
Mol Weight 370.41 g/mol
Molecular Formula C20H22N2O5
Exact Mass 370.152872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bOqBOzueRp
Name (S)-2',2'-Dimethyl-4-((E)-1-methyl-3-oxo-propenyl)-4',5'-dihydro-[2,4']bioxazolyl-3'-carboxylic acid benzyl ester
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Formula C20H22N2O5
InChI InChI=1S/C20H22N2O5/c1-14(9-10-23)16-12-25-18(21-16)17-13-27-20(2,3)22(17)19(24)26-11-15-7-5-4-6-8-15/h4-10,12,17H,11,13H2,1-3H3/b14-9+/t17-/m0/s1
InChIKey KFTWZCVRDAPXPQ-ZGUWOUCSSA-N
Literature Reference DOI 10.1021/ol900893e
Molecular Weight 370.405 g/mol
SMILES CC1(OC[C@](N1C(=O)OCc1ccccc1)(c1nc(co1)\C(=C\C=O)C)[H])C
SPLASH splash10-0006-9113000000-6ba5196e1cecc2827b33
Source of Spectrum A1-11-2756/SMS28-23
Synonyms (S,E)-benzyl 2,2-dimethyl-4-(4-(4-oxobut-2-en-2-yl)oxazol-2-yl)oxazolidine-3-carboxylate
Wiley ID 1756861