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8-Azabicyclo[3.2.1]octane-3,6,7-triol, 8-methyl-, 3-benzoate, (3-endo,6-exo,7-exo)-(.+-.)-
SpectraBase Compound ID 7zL9Dj3aevI
InChI InChI=1S/C15H19NO4/c1-16-11-7-10(8-12(16)14(18)13(11)17)20-15(19)9-5-3-2-4-6-9/h2-6,10-14,17-18H,7-8H2,1H3/t10-,11+,12-,13-,14+
InChIKey BYPCSLILSRLHGE-KYGRNUTJSA-N
Mol Weight 277.32 g/mol
Molecular Formula C15H19NO4
Exact Mass 277.131408 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1xofv5NSu1D
Name 8-Azabicyclo[3.2.1]octane-3,6,7-triol, 8-methyl-, 3-benzoate, (3-endo,6-exo,7-exo)-(.+-.)-
Alternate Name(s) (+,-)-6.beta.,7.beta.-hydroxytropan-3.alpha.-yl benzoate (+-)-6.beta.,7.beta.-dihydroxytropan-3.alpha.-yl benzoate (6R,7S)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate
CAS Registry Number 66759-80-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO4
InChI InChI=1S/C15H19NO4/c1-16-11-7-10(8-12(16)14(18)13(11)17)20-15(19)9-5-3-2-4-6-9/h2-6,10-14,17-18H,7-8H2,1H3/t10-,11+,12-,13-,14+
InChIKey BYPCSLILSRLHGE-KYGRNUTJSA-N
Molecular Weight 277.320 g/mol
SMILES O[C@@]1([C@]2(N([C@@]([C@@]1(O)[H])(C[C@](C2)(OC(=O)c1ccccc1)[H])[H])C)[H])[H]
SPLASH splash10-056r-9550000000-4626736e5c12c3dc7437
Source of Spectrum B-31-1163-0
Wiley ID 1280996