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(1S,5R,6R)-Methyl 8-benzyl-3-t-butoxycarbonyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
SpectraBase Compound ID KDFLq56n59f
InChI InChI=1S/C21H26N2O5/c1-13-17-15(19(25)27-5)11-16(22(17)12-14-9-7-6-8-10-14)18(24)23(13)20(26)28-21(2,3)4/h6-10,15-17H,1,11-12H2,2-5H3/t15-,16+,17+/m1/s1
InChIKey HDAXQFVVJKEUCN-IKGGRYGDSA-N
Mol Weight 386.45 g/mol
Molecular Formula C21H26N2O5
Exact Mass 386.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QVsvg2DARd
Name (1S,5R,6R)-Methyl 8-benzyl-3-t-butoxycarbonyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 756907 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26N2O5
InChI InChI=1S/C21H26N2O5/c1-13-17-15(19(25)27-5)11-16(22(17)12-14-9-7-6-8-10-14)18(24)23(13)20(26)28-21(2,3)4/h6-10,15-17H,1,11-12H2,2-5H3/t15-,16+,17+/m1/s1
InChIKey HDAXQFVVJKEUCN-IKGGRYGDSA-N
Molecular Weight 386.448 g/mol
SMILES C1(N(C([C@]2([C@@](C[C@@]1(N2Cc1ccccc1)[H])(C(=O)OC)[H])[H])=C)C(OC(C)(C)C)=O)=O
SPLASH splash10-0006-9010000000-73bf7887efc29658526a
Source of Spectrum H1-40-345-17
Synonyms 3-tert-Butyl 6-methyl (1S,5R,6R)-8-benzyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-3,6-dicarboxylate Methyl 8-benzyl-3-t-butoxycarbonyl-4-methylene-2-oxo-3,8-diazabicyclo[3.2.1]octane-6-exo-6-carboxylate
Wiley ID 1821192