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(1R,6S,1'S)-5,5-Dichloro-3-(1'-phenylethyl)-3-azabicyclo[4.3.0]non-7-en-4-one
SpectraBase Compound ID BmKzpwMjHDS
InChI InChI=1S/C16H17Cl2NO/c1-11(12-6-3-2-4-7-12)19-10-13-8-5-9-14(13)16(17,18)15(19)20/h2-7,9,11,13-14H,8,10H2,1H3/t11-,13-,14-/m0/s1
InChIKey ULJFRIXFMUGXFF-UBHSHLNASA-N
Mol Weight 310.22 g/mol
Molecular Formula C16H17Cl2NO
Exact Mass 309.06872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3jpTxvD0WAO
Name (1R,6S,1'S)-5,5-Dichloro-3-(1'-phenylethyl)-3-azabicyclo[4.3.0]non-7-en-4-one
Alternate Name(s) (4aS,7aR)-4,4-dichloro-2-[(1S)-1-phenylethyl]-1,2,4,4a,7,7a-hexahydro-3H-cyclopenta[c]pyridin-3-one
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Formula C16H17Cl2NO
InChI InChI=1S/C16H17Cl2NO/c1-11(12-6-3-2-4-7-12)19-10-13-8-5-9-14(13)16(17,18)15(19)20/h2-7,9,11,13-14H,8,10H2,1H3/t11-,13-,14-/m0/s1
InChIKey ULJFRIXFMUGXFF-UBHSHLNASA-N
Molecular Weight 310.224 g/mol
SMILES C1(N(C[C@]2([C@@](C1(Cl)Cl)(C=CC2)[H])[H])[C@](c1ccccc1)(C)[H])=O
SPLASH splash10-0ab9-0890000000-47394f8772bca47add43
Source of Spectrum H-76-1600-14
Wiley ID 1310593