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Methyl (1R,2-exo-3-exo)-8-Methyl-3-(2-naphthoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
SpectraBase Compound ID 25xH7sfofBN
InChI InChI=1S/C21H23NO4/c1-22-16-9-10-17(22)19(21(24)25-2)18(12-16)26-20(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16-,17+,18+,19-/m1/s1
InChIKey OQQMHQMVUOHAAR-YDZRNGNQSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxeQgaVS15b
Name Methyl (1R,2-exo-3-exo)-8-Methyl-3-(2-naphthoyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Alternate Name(s) methyl (3S,5R)-8-methyl-3-(naphthalen-2-ylcarbonyloxy)-8-azabicyclo[3.2.1]octane-2-carboxylate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO4
InChI InChI=1S/C21H23NO4/c1-22-16-9-10-17(22)19(21(24)25-2)18(12-16)26-20(23)15-8-7-13-5-3-4-6-14(13)11-15/h3-8,11,16-19H,9-10,12H2,1-2H3/t16-,17+,18+,19-/m1/s1
InChIKey OQQMHQMVUOHAAR-YDZRNGNQSA-N
Molecular Weight 353.418 g/mol
SMILES [C@]12([C@]([C@@](OC(c3cc4ccccc4cc3)=O)(C[C@](N2C)(CC1)[H])[H])(C(=O)OC)[H])[H]
SPLASH splash10-0udi-0029000000-e6c1535462ca64091d1e
Source of Spectrum F2-41-874-14
Wiley ID 1599517