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benzyl (aRS,1RS(1SR),2RS(2SR),6RS(6SR))-5-oxo-a-trifluoroacetylamino-7-oxabicyclo[4.1.0]heptane-2-propanoate (minor diastereomer)
SpectraBase Compound ID IzcQhEkVfOa
InChI InChI=1S/C18H18F3NO5/c19-18(20,21)17(25)22-12(8-11-6-7-13(23)15-14(11)27-15)16(24)26-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,22,25)
InChIKey TVGQGWGJYFHSAF-UHFFFAOYSA-N
Mol Weight 385.34 g/mol
Molecular Formula C18H18F3NO5
Exact Mass 385.113707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xY1eC6gGKm
Name benzyl (aRS,1RS(1SR),2RS(2SR),6RS(6SR))-5-oxo-a-trifluoroacetylamino-7-oxabicyclo[4.1.0]heptane-2-propanoate (minor diastereomer)
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Formula C18H18F3NO5
InChI InChI=1S/C18H18F3NO5/c19-18(20,21)17(25)22-12(8-11-6-7-13(23)15-14(11)27-15)16(24)26-9-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,22,25)
InChIKey TVGQGWGJYFHSAF-UHFFFAOYSA-N
Molecular Weight 385.339 g/mol
SMILES N(C(C(F)(F)F)=O)C(CC1C2C(O2)C(CC1)=O)C(OCc1ccccc1)=O
SPLASH splash10-0006-9000000000-af10710bd92d6aed1f89
Source of Spectrum B-47-1713-0
Synonyms benzyl (aRS,1RS(1SR),2RS(2SR),6RS(6SR))-5-oxo-a-trifluoroacetylamino-7-oxabicyclo[4.1.0]heptane-2-propanoate (major diastereomer) benzyl 3-(5-oxo-7-oxabicyclo[4.1.0]hept-2-yl)-2-[(trifluoroacetyl)amino]propanoate
Wiley ID 1362121