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2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [1R-[1.alpha.,3.beta.(E),5.alpha.,6.alpha.]]-
SpectraBase Compound ID 5VGehJKK3J4
InChI InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14+/m1/s1
InChIKey JZEPGIHACXZLFL-RWQNAXDTSA-N
Mol Weight 281.35 g/mol
Molecular Formula C15H23NO4
Exact Mass 281.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FUKn0TNsmtK
Name 2-Butenoic acid, 2-methyl-, 6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, [1R-[1.alpha.,3.beta.(E),5.alpha.,6.alpha.]]-
Alternate Name(s) (-)-6.beta.-acetoxy-3.alpha.-tigloyloxytropane (3S,6S)-6-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2E)-2-methyl-2-butenoate 1.alpha.H,5.alpha.H-tropane-3.alpha.,6.beta.-diol, 6-acetate 3-(2-methylcrotonate), (E)- exo-6-acetoxy-anti-8-methyl-8-azabicyclo(3,2,1)act-endo-3-yl(E)-2-methylbut-2-enoate
CAS Registry Number 7688-71-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H23NO4
InChI InChI=1S/C15H23NO4/c1-5-9(2)15(18)20-12-6-11-7-14(19-10(3)17)13(8-12)16(11)4/h5,11-14H,6-8H2,1-4H3/b9-5+/t11-,12+,13+,14+/m1/s1
InChIKey JZEPGIHACXZLFL-RWQNAXDTSA-N
Molecular Weight 281.352 g/mol
SMILES [C@@]12(N([C@@](C[C@@]2(OC(=O)C)[H])(C[C@](OC(\C(=C\C)C)=O)(C1)[H])[H])C)[H]
SPLASH splash10-00em-9400000000-34e5492851137e73a01f
Source of Spectrum B-32-2075-0
Wiley ID 1284857