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(1R*,5R*,6S*)-1,8-Dimethyl-3-methoxy-6-exo-(methoxycarbonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
SpectraBase Compound ID 8q2LJ7yNo0J
InChI InChI=1S/C12H17NO4/c1-12-6-7(11(15)17-4)8(13(12)2)5-9(16-3)10(12)14/h5,7-8H,6H2,1-4H3/t7-,8+,12+/m0/s1
InChIKey IJUCAIPUSONVKE-JOAULVNJSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F0isXqL9dTO
Name (1R*,5R*,6S*)-1,8-Dimethyl-3-methoxy-6-exo-(methoxycarbonyl)-8-azabicyclo[3.2.1]oct-3-en-2-one
Alternate Name(s) Methyl (1R,5R,6S)-3-methoxy-1,8-dimethyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-12-6-7(11(15)17-4)8(13(12)2)5-9(16-3)10(12)14/h5,7-8H,6H2,1-4H3/t7-,8+,12+/m0/s1
InChIKey IJUCAIPUSONVKE-JOAULVNJSA-N
Molecular Weight 239.271 g/mol
SMILES [C@@]12(N([C@@]([H])([C@](C2)(C(=O)OC)[H])C=C(C1=O)OC)C)C
SPLASH splash10-08g0-2910000000-901146d61bb8fb8d116d
Source of Spectrum J-61-6118-17
Wiley ID 1241854