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8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate
SpectraBase Compound ID 9K3Ir7VfQ9C
InChI InChI=1S/C22H25NO3/c1-23-18-14-21(26-22(25)16-10-6-3-7-11-16)19(23)13-20(24)17(18)12-15-8-4-2-5-9-15/h2-11,17-21,24H,12-14H2,1H3/t17?,18-,19-,20?,21+/m0/s1
InChIKey GCUXPQRWLZDZQJ-QQVZOVBDSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kpbTLHNCFG
Name 8-Azabicyclo[3.2.1]octane-3,6-diol, 8-methyl-2-(phenylmethyl)-, 6-benzoate
Alternate Name(s) 2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-6-yl benzoate (4-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-7-yl) benzoate benzoic acid (4-benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-7-yl) ester benzoic acid [3-hydroxy-8-methyl-4-(phenylmethyl)-8-azabicyclo[3.2.1]octan-7-yl] ester
CAS Registry Number 55925-26-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-23-18-14-21(26-22(25)16-10-6-3-7-11-16)19(23)13-20(24)17(18)12-15-8-4-2-5-9-15/h2-11,17-21,24H,12-14H2,1H3/t17?,18-,19-,20?,21+/m0/s1
InChIKey GCUXPQRWLZDZQJ-QQVZOVBDSA-N
Molecular Weight 351.446 g/mol
SMILES OC1C[C@]2([C@@](C[C@@](C1Cc1ccccc1)(N2C)[H])(OC(c1ccccc1)=O)[H])[H]
SPLASH splash10-01ox-9410000000-6d2c221451b61e4b23b6
Source of Spectrum S-27-1041-3
Wiley ID 1342722