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Ethyl (E)-9-Benzylidene-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
SpectraBase Compound ID DU4ia8n4f7R
InChI InChI=1S/C27H33NO2/c1-2-30-26(29)27-17-9-16-24(25(27)19-23-13-7-4-8-14-23)20-28(21-27)18-10-15-22-11-5-3-6-12-22/h3-8,11-14,19,24H,2,9-10,15-18,20-21H2,1H3/b25-19+/t24-,27-/m1/s1
InChIKey NIZOGQMQBBPNSY-SZSKTEHYSA-N
Mol Weight 403.6 g/mol
Molecular Formula C27H33NO2
Exact Mass 403.251129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YmTi9a7v3k
Name Ethyl (E)-9-Benzylidene-3-(3-phenylpropyl)-3-azabicyclo[3.3.1]nonane-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H33NO2
InChI InChI=1S/C27H33NO2/c1-2-30-26(29)27-17-9-16-24(25(27)19-23-13-7-4-8-14-23)20-28(21-27)18-10-15-22-11-5-3-6-12-22/h3-8,11-14,19,24H,2,9-10,15-18,20-21H2,1H3/b25-19+/t24-,27-/m1/s1
InChIKey NIZOGQMQBBPNSY-SZSKTEHYSA-N
Molecular Weight 403.566 g/mol
SMILES [C@@]12(\C(=C\c3ccccc3)[C@](CCC1)(CN(C2)CCCc1ccccc1)[H])C(=O)OCC
SPLASH splash10-0002-2190100000-4b4c006ca4cc8c49cc37
Source of Spectrum U1-2009-1948-7a
Wiley ID 1662808