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(1'S,2'R,4'S)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate

View entire compound with spectra: 1 MS (GC)

(1'S,2'R,4'S)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate
SpectraBase Compound ID Af4EuYjQ7j2
InChI InChI=1S/C15H16N2O6/c1-2-17-6-10-21-11(13(17)18)12(22-10)14(19)23-15(7-16)5-8-3-4-9(15)20-8/h3-4,8-12H,2,5-6H2,1H3/t8-,9+,10-,11+,12+,15-/m1/s1
InChIKey CGAYUXRSKGBWFD-JLXBRODASA-N
Mol Weight 320.3 g/mol
Molecular Formula C15H16N2O6
Exact Mass 320.100836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nFcvKrtcKe
Name (1'S,2'R,4'S)-2'-exo-Cyano-7'-oxabicyclo[2.2.1]hept-5'-en-2'-endo-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-exo-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O6
InChI InChI=1S/C15H16N2O6/c1-2-17-6-10-21-11(13(17)18)12(22-10)14(19)23-15(7-16)5-8-3-4-9(15)20-8/h3-4,8-12H,2,5-6H2,1H3/t8-,9+,10-,11+,12+,15-/m1/s1
InChIKey CGAYUXRSKGBWFD-JLXBRODASA-N
Molecular Weight 320.301 g/mol
SMILES [C@@]12([C@@](C(O[C@@]3([C@]4(O[C@@](C3)(C=C4)[H])[H])C#N)=O)(O[C@@](O2)(CN(C1=O)CC)[H])[H])[H]
SPLASH splash10-0aor-9100000000-8a398b6bdce9de5e3cef
Source of Spectrum QC-1-733-12
Synonyms (1R,5S,6S)-3-ethyl-4-keto-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid[(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl]ester (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid[(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl]ester (1S,2R,4S)-2-cyano-7-oxabicyclo[2.2.1]hept-5-en-2-yl (1S,5R,7S)-3-ethyl-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylate [(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl](1R,5S,6S)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate [(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl](1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylic acid [(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] ester [(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] (1R,5S,6S)-3-ethyl-4-oxo-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate [(1S,4S,5R)-5-cyano-7-oxabicyclo[2.2.1]hept-2-en-5-yl] (1R,5S,6S)-3-ethyl-4-oxidanylidene-7,8-dioxa-3-azabicyclo[3.2.1]octane-6-carboxylate
Wiley ID 882889