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2,7-Dibenzyl-5-[2-(acetoxy)-3-butenyl]-2,7-diazabicyclo[4.3.0]nonan-1-one
SpectraBase Compound ID 1d6aX78qrDf
InChI InChI=1S/C27H32N2O3/c1-3-24(32-20(2)30)16-23-19-29(18-22-12-8-5-9-13-22)26-25(23)14-15-28(27(26)31)17-21-10-6-4-7-11-21/h3-13,23-26H,1,14-19H2,2H3/t23-,24?,25-,26+/m1/s1
InChIKey SMTLCUABFOETEH-TZZBBBQFSA-N
Mol Weight 432.6 g/mol
Molecular Formula C27H32N2O3
Exact Mass 432.241293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1cCrumIaKLe
Name 2,7-Dibenzyl-5-[2-(acetoxy)-3-butenyl]-2,7-diazabicyclo[4.3.0]nonan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32N2O3
InChI InChI=1S/C27H32N2O3/c1-3-24(32-20(2)30)16-23-19-29(18-22-12-8-5-9-13-22)26-25(23)14-15-28(27(26)31)17-21-10-6-4-7-11-21/h3-13,23-26H,1,14-19H2,2H3/t23-,24?,25-,26+/m1/s1
InChIKey SMTLCUABFOETEH-TZZBBBQFSA-N
Molecular Weight 432.564 g/mol
SMILES [C@@]12(N(C[C@]([C@]1(CCN(C2=O)Cc1ccccc1)[H])(CC(OC(=O)C)C=C)[H])Cc1ccccc1)[H]
SPLASH splash10-0006-9000000000-7df5ec6a1403078b19d1
Source of Spectrum J-58-4951-37
Synonyms Acetic acid 1-((3S,3aR,7aS)-1,6-dibenzyl-7-oxo-octahydro-pyrrolo[2,3-c]pyridin-3-ylmethyl)-allyl ester
Wiley ID 1382444