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trans-7-phenylsulfonyl-1-azobicyclo[4.2.0]octan-8-one
SpectraBase Compound ID KGSXtZXCDNJ
InChI InChI=1S/C13H15NO3S/c15-13-12(11-8-4-5-9-14(11)13)18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKey HYEXVAMQXZOCGX-VXGBXAGGSA-N
Mol Weight 265.33 g/mol
Molecular Formula C13H15NO3S
Exact Mass 265.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jd5hayJ7N8g
Name trans-7-phenylsulfonyl-1-azobicyclo[4.2.0]octan-8-one
CAS Registry Number 105495-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c15-13-12(11-8-4-5-9-14(11)13)18(16,17)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2/t11-,12-/m1/s1
InChIKey HYEXVAMQXZOCGX-VXGBXAGGSA-N
Molecular Weight 265.327 g/mol
SMILES [C@@]1(S(=O)(=O)c2ccccc2)(C(=O)N2[C@@]1(CCCC2)[H])[H]
SPLASH splash10-00di-2900000000-773311c65bb5289b4262
Source of Spectrum B-39-695-14
Synonyms (6R,7R)-7-(phenylsulfonyl)-1-azabicyclo[4.2.0]octan-8-one
Wiley ID 1268821