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8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-2-(phenylmethyl)-, benzoate (ester)
SpectraBase Compound ID 6WL8TmtA026
InChI InChI=1S/C22H25NO2/c1-23-18-12-13-20(23)19(14-16-8-4-2-5-9-16)21(15-18)25-22(24)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19?,20+,21?/m1/s1
InChIKey HQHGOVGPAFWNIH-OSIBBQKWSA-N
Mol Weight 335.45 g/mol
Molecular Formula C22H25NO2
Exact Mass 335.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZO64aWd1KC
Name 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-2-(phenylmethyl)-, benzoate (ester)
Alternate Name(s) 2-Benzyl-8-methyl-8-azabicyclo[3.2.1]oct-3-yl benzoate (4-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) benzoate benzoic acid (4-benzyl-8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester benzoic acid [8-methyl-4-(phenylmethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester
CAS Registry Number 55925-25-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO2
InChI InChI=1S/C22H25NO2/c1-23-18-12-13-20(23)19(14-16-8-4-2-5-9-16)21(15-18)25-22(24)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19?,20+,21?/m1/s1
InChIKey HQHGOVGPAFWNIH-OSIBBQKWSA-N
Molecular Weight 335.447 g/mol
SMILES CN1[C@@]2(CC[C@]1(C(Cc1ccccc1)C(C2)OC(c1ccccc1)=O)[H])[H]
SPLASH splash10-03ec-9240000000-213c837e7e90501704d0
Source of Spectrum S-27-1041-1
Wiley ID 1331839