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(1S,5R,6R,1'S)-3-(1'-Phenylethyl)-5-methyl-3-azabicyclo[4.3.0]non-7-en-4-one
SpectraBase Compound ID BHPmRd5aAqH
InChI InChI=1S/C17H21NO/c1-12-16-10-6-9-15(16)11-18(17(12)19)13(2)14-7-4-3-5-8-14/h3-8,10,12-13,15-16H,9,11H2,1-2H3/t12-,13+,15-,16+/m1/s1
InChIKey WAVWRQZCUOQBFI-CLWVCHIJSA-N
Mol Weight 255.36 g/mol
Molecular Formula C17H21NO
Exact Mass 255.162314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DCjgVM5vCo9
Name (1S,5R,6R,1'S)-3-(1'-Phenylethyl)-5-methyl-3-azabicyclo[4.3.0]non-7-en-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO
InChI InChI=1S/C17H21NO/c1-12-16-10-6-9-15(16)11-18(17(12)19)13(2)14-7-4-3-5-8-14/h3-8,10,12-13,15-16H,9,11H2,1-2H3/t12-,13+,15-,16+/m1/s1
InChIKey WAVWRQZCUOQBFI-CLWVCHIJSA-N
Molecular Weight 255.361 g/mol
SMILES C1(N(C[C@@]2([C@]([C@]1(C)[H])(C=CC2)[H])[H])[C@](c1ccccc1)(C)[H])=O
SPLASH splash10-0a4i-0890000000-2bb4723d2828da37b6cc
Source of Spectrum H-76-1601-18
Synonyms (4R,4aR,7aS)-4-methyl-2-[(1S)-1-phenylethyl]-1,2,4,4a,7,7a-hexahydro-3H-cyclopenta[c]pyridin-3-one
Wiley ID 1259047