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7(1H)-Quinolinone, 1-(chloroacetyl)-4a-ethyl-4,4a,5,6,8,8a-hexahydro-, cis-(.+-.)-
SpectraBase Compound ID ApyZj2EJgPd
InChI InChI=1S/C13H18ClNO2/c1-2-13-5-3-7-15(12(17)9-14)11(13)8-10(16)4-6-13/h3,7,11H,2,4-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKey BNEFRXUYNDHPHT-YPMHNXCESA-N
Mol Weight 255.74 g/mol
Molecular Formula C13H18ClNO2
Exact Mass 255.102607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cDqAmDOo0Z
Name 7(1H)-Quinolinone, 1-(chloroacetyl)-4a-ethyl-4,4a,5,6,8,8a-hexahydro-, cis-(.+-.)-
CAS Registry Number 112622-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18ClNO2
InChI InChI=1S/C13H18ClNO2/c1-2-13-5-3-7-15(12(17)9-14)11(13)8-10(16)4-6-13/h3,7,11H,2,4-6,8-9H2,1H3/t11-,13+/m1/s1
InChIKey BNEFRXUYNDHPHT-YPMHNXCESA-N
Molecular Weight 255.745 g/mol
SMILES [C@]12(N(C=CC[C@]2(CCC(C1)=O)CC)C(=O)CCl)[H]
SPLASH splash10-0pdi-9620000000-efefd3dc0e0cc1746e33
Source of Spectrum J-53-972-31
Synonyms (4aR,8aR)-1-(chloroacetyl)-4a-ethyl-4,4a,5,6,8,8a-hexahydro-7(1H)-quinolinone 1-(chloroacetyl)-7-oxo-10-ethyl-1,4,5,6,7,8,9,10-octahydroquinoline
Wiley ID 1258736