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trans-3-Benzyl-3-azabicyclo[4.4.0]decan-7-one
SpectraBase Compound ID LKE9G07dRZo
InChI InChI=1S/C16H21NO/c18-16-8-4-7-14-12-17(10-9-15(14)16)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2/t14-,15-/m0/s1
InChIKey LXYILYMTSLJOAY-GJZGRUSLSA-N
Mol Weight 243.35 g/mol
Molecular Formula C16H21NO
Exact Mass 243.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zvWb858kq5
Name trans-3-Benzyl-3-azabicyclo[4.4.0]decan-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21NO
InChI InChI=1S/C16H21NO/c18-16-8-4-7-14-12-17(10-9-15(14)16)11-13-5-2-1-3-6-13/h1-3,5-6,14-15H,4,7-12H2/t14-,15-/m0/s1
InChIKey LXYILYMTSLJOAY-GJZGRUSLSA-N
Molecular Weight 243.350 g/mol
SMILES C1N(CC[C@@]2(C(CCC[C@@]12[H])=O)[H])Cc1ccccc1
SPLASH splash10-0005-0960000000-56a36ca161e2c444839a
Source of Spectrum C-113-8874-37
Synonyms (4aS,8aR)-2-benzyloctahydro-5(1H)-isoquinolinone (4aS,8aR)-2-(phenylmethyl)-1,3,4,4a,6,7,8,8a-octahydroisoquinolin-5-one
Wiley ID 1246268