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(1R,4R,9S)-Methyl-3-benzyl-13-oxo-3-azatricyclotridec[8.3.1.0(4,9)]-5-ene-1-carboxylate
SpectraBase Compound ID 8UzKKAbjoyD
InChI InChI=1S/C21H25NO3/c1-25-19(24)21-13-7-12-20(18(21)23)11-6-5-10-17(20)22(15-21)14-16-8-3-2-4-9-16/h2-5,8-10,17H,6-7,11-15H2,1H3/t17?,20-,21-/m1/s1
InChIKey UIXZEZAPTHMHRE-LTGQRPFBSA-N
Mol Weight 339.44 g/mol
Molecular Formula C21H25NO3
Exact Mass 339.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DuAx8Jw32ho
Name (1R,4R,9S)-Methyl-3-benzyl-13-oxo-3-azatricyclotridec[8.3.1.0(4,9)]-5-ene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO3
InChI InChI=1S/C21H25NO3/c1-25-19(24)21-13-7-12-20(18(21)23)11-6-5-10-17(20)22(15-21)14-16-8-3-2-4-9-16/h2-5,8-10,17H,6-7,11-15H2,1H3/t17?,20-,21-/m1/s1
InChIKey UIXZEZAPTHMHRE-LTGQRPFBSA-N
Molecular Weight 339.435 g/mol
SMILES [C@]12(C([C@@]3(C(C=CCC3)N(C1)Cc1ccccc1)CCC2)=O)C(=O)OC
SPLASH splash10-0006-0009000000-b387085984dfcc2fffe8
Source of Spectrum F-67-7998-31
Synonyms (1S,9R)-7-Benzyl-13-oxo-7-aza-tricyclo[7.3.1.0*1,6*]tridec-4-ene-9-carboxylic acid methyl ester
Wiley ID 1687600