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steroisomer methyl N-[4-[6-(benzyloxycarbonyl)-3-cyano-6-azabicyclo[3.2.1]oct-3-enyl]]-L-alaninate
SpectraBase Compound ID B5dNY3nPqA5
InChI InChI=1S/C20H23N3O4/c1-14(18(24)26-2)22-20-9-16(11-21)8-17(10-20)23(13-20)19(25)27-12-15-6-4-3-5-7-15/h3-8,14,17,22H,9-10,12-13H2,1-2H3/t14-,17-,20-/m0/s1
InChIKey DJABEOBHSCCZIR-JTOQLSFASA-N
Mol Weight 369.42 g/mol
Molecular Formula C20H23N3O4
Exact Mass 369.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nrJr6gvNBF
Name steroisomer methyl N-[4-[6-(benzyloxycarbonyl)-3-cyano-6-azabicyclo[3.2.1]oct-3-enyl]]-L-alaninate
CAS Registry Number 115545-80-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H23N3O4
InChI InChI=1S/C20H23N3O4/c1-14(18(24)26-2)22-20-9-16(11-21)8-17(10-20)23(13-20)19(25)27-12-15-6-4-3-5-7-15/h3-8,14,17,22H,9-10,12-13H2,1-2H3/t14-,17-,20-/m0/s1
InChIKey DJABEOBHSCCZIR-JTOQLSFASA-N
Molecular Weight 369.421 g/mol
SMILES N([C@]12CN([C@@](C=C(C#N)C2)(C1)[H])C(OCc1ccccc1)=O)[C@](C(=O)OC)(C)[H]
SPLASH splash10-0006-9001000000-9ebb26199b5a1a9f35d7
Source of Spectrum J-54-113-12
Synonyms benzyl 3-cyano-1-{[(1S)-2-methoxy-1-methyl-2-oxoethyl]amino}-6-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Wiley ID 1353650