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Ethyl (Z,1RS,5RS,6SR)-(8-benzyl-6-(methoxycarbonyl)-5-methyl-8-aza-bicyclo[3.2.1]oct-2-ylidene)-acetate
SpectraBase Compound ID J4MLrbm9pxq
InChI InChI=1S/C21H27NO4/c1-4-26-19(23)12-16-10-11-21(2)17(20(24)25-3)13-18(16)22(21)14-15-8-6-5-7-9-15/h5-9,12,17-18H,4,10-11,13-14H2,1-3H3/b16-12-/t17-,18+,21-/m0/s1
InChIKey IBQHGFVBVMBQOE-UXSNQMCBSA-N
Mol Weight 357.45 g/mol
Molecular Formula C21H27NO4
Exact Mass 357.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67WmkyrmMkJ
Name Ethyl (Z,1RS,5RS,6SR)-(8-benzyl-6-(methoxycarbonyl)-5-methyl-8-aza-bicyclo[3.2.1]oct-2-ylidene)-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO4
InChI InChI=1S/C21H27NO4/c1-4-26-19(23)12-16-10-11-21(2)17(20(24)25-3)13-18(16)22(21)14-15-8-6-5-7-9-15/h5-9,12,17-18H,4,10-11,13-14H2,1-3H3/b16-12-/t17-,18+,21-/m0/s1
InChIKey IBQHGFVBVMBQOE-UXSNQMCBSA-N
Molecular Weight 357.450 g/mol
SMILES [C@@]12(N([C@](C[C@]2(C(=O)OC)[H])(\C(=C/C(=O)OCC)CC1)[H])Cc1ccccc1)C
SPLASH splash10-00dl-3092000000-11a66a4ccfa82e82faa4
Source of Spectrum F5-6-3194-Z-23
Synonyms Ethyl (Z,1RS,5RS,6SR)-(8-benzyl-6-(methoxycarbonyl)-5-methyl-8-azabicyclo[3.2.1]oct-2-ylidene)-acetate (1R,5S,6R,Z)-methyl 8-benzyl-2-(2-ethoxy-2-oxoethylidene)-5-methyl-8-azabicyclo[3.2.1]octane-6-carboxylate
Wiley ID 1733604