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7-Acetoxy-4-(4'-chlorophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID 68KnLb2RTMh
InChI InChI=1S/C15H14ClNO4S/c1-6(18)21-15-11-9-10(11)14-12(15)13(9)17(14)22(19,20)8-4-2-7(16)3-5-8/h2-5,9-15H,1H3/t9-,10?,11-,12+,13-,14+,15+/m0/s1
InChIKey DJOZXZALFLOLIS-RZVCHIOYSA-N
Mol Weight 339.79 g/mol
Molecular Formula C15H14ClNO4S
Exact Mass 339.033207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HL1z2IJ0aHE
Name 7-Acetoxy-4-(4'-chlorophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
CAS Registry Number 136708-56-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14ClNO4S
InChI InChI=1S/C15H14ClNO4S/c1-6(18)21-15-11-9-10(11)14-12(15)13(9)17(14)22(19,20)8-4-2-7(16)3-5-8/h2-5,9-15H,1H3/t9-,10?,11-,12+,13-,14+,15+/m0/s1
InChIKey DJOZXZALFLOLIS-RZVCHIOYSA-N
Molecular Weight 339.793 g/mol
SMILES c1(S(N2[C@]3([C@]4(C5[C@@]2([C@]3([C@](OC(=O)C)([C@]45[H])[H])[H])[H])[H])[H])(=O)=O)ccc(cc1)Cl
SPLASH splash10-00dl-6900000000-5da30813e729d79691ce
Source of Spectrum K-124-2890-1
Synonyms 4-[(4-chlorophenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl acetate
Wiley ID 1334337