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Ethyl (E)-9-(3-Methylbenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
SpectraBase Compound ID 18SKpr2bTb3
InChI InChI=1S/C28H35NO2/c1-3-31-27(30)28-16-8-15-25(26(28)19-24-13-7-10-22(2)18-24)20-29(21-28)17-9-14-23-11-5-4-6-12-23/h4-7,10-13,18-19,25H,3,8-9,14-17,20-21H2,1-2H3/b26-19+/t25-,28-/m1/s1
InChIKey YKTJWMMINHGMDS-UWLJPIMPSA-N
Mol Weight 417.6 g/mol
Molecular Formula C28H35NO2
Exact Mass 417.266779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PMiTwpmEII
Name Ethyl (E)-9-(3-Methylbenzylidene)-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H35NO2
InChI InChI=1S/C28H35NO2/c1-3-31-27(30)28-16-8-15-25(26(28)19-24-13-7-10-22(2)18-24)20-29(21-28)17-9-14-23-11-5-4-6-12-23/h4-7,10-13,18-19,25H,3,8-9,14-17,20-21H2,1-2H3/b26-19+/t25-,28-/m1/s1
InChIKey YKTJWMMINHGMDS-UWLJPIMPSA-N
Molecular Weight 417.593 g/mol
SMILES [C@@]12(\C(=C\c3cc(C)ccc3)[C@](CCC1)(CN(C2)CCCc1ccccc1)[H])C(=O)OCC
SPLASH splash10-03di-1109300000-cc64e4dcd139c927f960
Source of Spectrum U1-2009-1949-7g
Wiley ID 1662802