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7-Benzoyloxy-4-phenylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane

View entire compound with spectra: 1 MS (GC)

7-Benzoyloxy-4-phenylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
SpectraBase Compound ID 5QsGAsMC4Uw
InChI InChI=1S/C20H17NO4S/c22-20(11-7-3-1-4-8-11)25-19-15-13-14(15)18-16(19)17(13)21(18)26(23,24)12-9-5-2-6-10-12/h1-10,13-19H/t13-,14?,15-,16+,17-,18+,19+/m0/s1
InChIKey JEZWVDBSZNGDGI-DFKONARKSA-N
Mol Weight 367.42 g/mol
Molecular Formula C20H17NO4S
Exact Mass 367.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IaWEWyP6tgv
Name 7-Benzoyloxy-4-phenylsulphonyl-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]octane
Alternate Name(s) 4-(Phenylsulfonyl)-4-azatetracyclo[3.3.0.0(2,8).0(3,6)]oct-7-yl benzoate
CAS Registry Number 136736-73-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NO4S
InChI InChI=1S/C20H17NO4S/c22-20(11-7-3-1-4-8-11)25-19-15-13-14(15)18-16(19)17(13)21(18)26(23,24)12-9-5-2-6-10-12/h1-10,13-19H/t13-,14?,15-,16+,17-,18+,19+/m0/s1
InChIKey JEZWVDBSZNGDGI-DFKONARKSA-N
Molecular Weight 367.419 g/mol
SMILES c1(S(N2[C@@]3(C4[C@@]5([C@]2([C@]3([C@](OC(=O)c2ccccc2)([C@]45[H])[H])[H])[H])[H])[H])(=O)=O)ccccc1
SPLASH splash10-0a4i-0910000000-7a5a9b3409a4d7375b4e
Source of Spectrum K-124-2891-1
Wiley ID 1352525