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Propanoic acid, 2-methyl-, 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl ester, (3-endo,6-exo)-(.+-.)-
SpectraBase Compound ID 1GvzzB9rJh6
InChI InChI=1S/C14H23NO4/c1-8(2)14(17)19-13-6-10-5-11(18-9(3)16)7-12(13)15(10)4/h8,10-13H,5-7H2,1-4H3/t10-,11+,12+,13+/m1/s1
InChIKey KUIUQFWNNGFINR-VOAKCMCISA-N
Mol Weight 269.34 g/mol
Molecular Formula C14H23NO4
Exact Mass 269.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5Cr0tiMMJl
Name Propanoic acid, 2-methyl-, 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl ester, (3-endo,6-exo)-(.+-.)-
Alternate Name(s) (3S,6S)-3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl 2-methylpropanoate 3.alpha.-acetoxy-6.beta.-isobutoxytropane 3.alpha.-acetoxy-6.beta.-isobutyroxytropane
CAS Registry Number 72362-49-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H23NO4
InChI InChI=1S/C14H23NO4/c1-8(2)14(17)19-13-6-10-5-11(18-9(3)16)7-12(13)15(10)4/h8,10-13H,5-7H2,1-4H3/t10-,11+,12+,13+/m1/s1
InChIKey KUIUQFWNNGFINR-VOAKCMCISA-N
Molecular Weight 269.341 g/mol
SMILES [C@@]12(N([C@@](C[C@@]2(OC(=O)C(C)C)[H])(C[C@](OC(=O)C)(C1)[H])[H])C)[H]
SPLASH splash10-000y-9200000000-1c9f940ae98fddb7242b
Source of Spectrum B-32-1836-0
Wiley ID 1273140