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exo 9-N-Tosylmethylaminobicyclo[4.3.0]octane-7-one
SpectraBase Compound ID LS86NaO3N45
InChI InChI=1S/C17H23NO3S/c1-12-6-8-13(9-7-12)22(20,21)11-18-16-10-17(19)15-5-3-2-4-14(15)16/h6-9,14-16,18H,2-5,10-11H2,1H3/t14-,15+,16-/m1/s1
InChIKey UFMABFOXXUIYOL-OWCLPIDISA-N
Mol Weight 321.44 g/mol
Molecular Formula C17H23NO3S
Exact Mass 321.139865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8p1AtnWrQzG
Name exo 9-N-Tosylmethylaminobicyclo[4.3.0]octane-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-12-6-8-13(9-7-12)22(20,21)11-18-16-10-17(19)15-5-3-2-4-14(15)16/h6-9,14-16,18H,2-5,10-11H2,1H3/t14-,15+,16-/m1/s1
InChIKey UFMABFOXXUIYOL-OWCLPIDISA-N
Molecular Weight 321.435 g/mol
SMILES N([C@@]1(CC(=O)[C@@]2([C@]1(CCCC2)[H])[H])[H])CS(c1ccc(C)cc1)(=O)=O
SPLASH splash10-0153-2901000000-da0069da5f98f582a408
Source of Spectrum AT-40-5186-4
Wiley ID 854580