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Ethyl (E,1RS,5RS,7SR)-(8-benzyl-7-(t-butoxycarbonyl)-8-aza-bicyclo[3.2.1]oct-2-ylidene)-acetate
SpectraBase Compound ID 65bSVCys8r7
InChI InChI=1S/C23H31NO4/c1-5-27-20(25)13-17-11-12-18-14-19(22(26)28-23(2,3)4)21(17)24(18)15-16-9-7-6-8-10-16/h6-10,13,18-19,21H,5,11-12,14-15H2,1-4H3/b17-13+/t18-,19-,21+/m1/s1
InChIKey VELYXLCQUJMRAY-IGSXBCTJSA-N
Mol Weight 385.5 g/mol
Molecular Formula C23H31NO4
Exact Mass 385.225308 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CduH4Xcyh1T
Name Ethyl (E,1RS,5RS,7SR)-(8-benzyl-7-(t-butoxycarbonyl)-8-aza-bicyclo[3.2.1]oct-2-ylidene)-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO4
InChI InChI=1S/C23H31NO4/c1-5-27-20(25)13-17-11-12-18-14-19(22(26)28-23(2,3)4)21(17)24(18)15-16-9-7-6-8-10-16/h6-10,13,18-19,21H,5,11-12,14-15H2,1-4H3/b17-13+/t18-,19-,21+/m1/s1
InChIKey VELYXLCQUJMRAY-IGSXBCTJSA-N
Molecular Weight 385.504 g/mol
SMILES [C@@]12(N([C@@](C[C@]2(C(OC(C)(C)C)=O)[H])(CC\C1=C\C(=O)OCC)[H])Cc1ccccc1)[H]
SPLASH splash10-0a4u-5097000000-dc81a3ee22f7d4a55120
Source of Spectrum F5-6-3192-E-16b
Synonyms Ethyl (E,1RS,5RS,7SR)-(8-benzyl-7-(t-butoxycarbonyl)-8-azabicyclo[3.2.1]oct-2-ylidene)-acetate (1S,5S,6R,E)-tert-butyl 8-benzyl-4-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-6-carboxylate (1S,4E,5S,6R)-4-(2-ethoxy-2-oxoethylidene)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-6-carboxylic acid tert-butyl ester tert-Butyl (1S,4E,5S,6R)-8-benzyl-4-(2-ethoxy-2-oxoethylidene)-8-azabicyclo[3.2.1]octane-6-carboxylate tert-Butyl (1S,4E,5S,6R)-8-benzyl-4-(2-ethoxy-2-oxo-ethylidene)-8-azabicyclo[3.2.1]octane-6-carboxylate tert-Butyl (1S,4E,5S,6R)-4-(2-ethoxy-2-oxidanylidene-ethylidene)-8-(phenylmethyl)-8-azabicyclo[3.2.1]octane-6-carboxylate
Wiley ID 1733614