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7-Chloro-4-(4'-nitrophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID IMIf8urJrgw
InChI InChI=1S/C13H11ClN2O4S/c14-11-7-8-9(7)13-10(11)12(8)15(13)21(19,20)6-3-1-5(2-4-6)16(17)18/h1-4,7-13H/t7?,8-,9?,10-,11?,12+,13-/m1/s1
InChIKey FNDIXVGPONAMSO-XITBXKLDSA-N
Mol Weight 326.75 g/mol
Molecular Formula C13H11ClN2O4S
Exact Mass 326.012806 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gi3pB4FRr12
Name 7-Chloro-4-(4'-nitrophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
CAS Registry Number 136708-73-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11ClN2O4S
InChI InChI=1S/C13H11ClN2O4S/c14-11-7-8-9(7)13-10(11)12(8)15(13)21(19,20)6-3-1-5(2-4-6)16(17)18/h1-4,7-13H/t7?,8-,9?,10-,11?,12+,13-/m1/s1
InChIKey FNDIXVGPONAMSO-XITBXKLDSA-N
Molecular Weight 326.754 g/mol
SMILES c1(S(N2[C@@]3(C4[C@@]5([C@]2([C@]3(C(Cl)C45)[H])[H])[H])[H])(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-000f-0901000000-feaa2538ced83027e064
Source of Spectrum K-124-2892-1
Synonyms 7-Chloro-4-[(4-nitrophenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
Wiley ID 1324392