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7-Acetoxy-4-(4'-nitrophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID 7aD8ril0Mq0
InChI InChI=1S/C15H14N2O6S/c1-6(18)23-15-11-9-10(11)14-12(15)13(9)16(14)24(21,22)8-4-2-7(3-5-8)17(19)20/h2-5,9-15H,1H3/t9-,10+,11-,12+,13-,14+,15-/m0/s1
InChIKey PFEZVUCBSPTHCO-QPXLLFJUSA-N
Mol Weight 350.35 g/mol
Molecular Formula C15H14N2O6S
Exact Mass 350.057257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BbAQAGt8EO8
Name 7-Acetoxy-4-(4'-nitrophenylsulphonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
CAS Registry Number 136708-58-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14N2O6S
InChI InChI=1S/C15H14N2O6S/c1-6(18)23-15-11-9-10(11)14-12(15)13(9)16(14)24(21,22)8-4-2-7(3-5-8)17(19)20/h2-5,9-15H,1H3/t9-,10+,11-,12+,13-,14+,15-/m0/s1
InChIKey PFEZVUCBSPTHCO-QPXLLFJUSA-N
Molecular Weight 350.345 g/mol
SMILES c1(S(N2[C@]3([C@]4([C@]5([C@@]2([C@]3([C@@](OC(=O)C)([C@]45[H])[H])[H])[H])[H])[H])[H])(=O)=O)ccc(N(=O)=O)cc1
SPLASH splash10-0006-9100000000-67e0e474885673f3281d
Source of Spectrum K-124-2891-1
Synonyms 4-[(4-nitrophenyl)sulfonyl]-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl acetate
Wiley ID 1341681