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(1S,4R)-7-(4-Methylphenylsulfonyl)-7-azabicyclo[2.2.1]heptan-2-one
SpectraBase Compound ID 8mLKz8WYNJQ
InChI InChI=1S/C13H15NO3S/c1-9-2-5-11(6-3-9)18(16,17)14-10-4-7-12(14)13(15)8-10/h2-3,5-6,10,12H,4,7-8H2,1H3/t10-,12+/m1/s1
InChIKey RVGWJYHRXWYKAS-UHFFFAOYSA-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 ADPcpVo3Twt
Name (1S,4R)-7-(4-Methylphenylsulfonyl)-7-azabicyclo[2.2.1]heptan-2-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3S
InChI InChI=1S/C13H15NO3S/c1-9-2-5-11(6-3-9)18(16,17)14-10-4-7-12(14)13(15)8-10/h2-3,5-6,10,12H,4,7-8H2,1H3/t10-,12+/m0/s1
InChIKey RVGWJYHRXWYKAS-UHFFFAOYSA-N
Molecular Weight 265.327 g/mol
SMILES [C@@]12(N(S(c3ccc(cc3)C)(=O)=O)[C@](CC1=O)(CC2)[H])[H]
SPLASH splash10-0a4i-1910000000-4354c10cea90f2bd3811
Source of Spectrum O1-65-1709-3
Synonyms 7-(p-Toluenesulfonyl)-7-azabicyclo[2.2.1]heptane-2-one 7-[(4-methylphenyl)sulfonyl]-7-azabicyclo[2.2.1]heptan-2-one
Wiley ID 1593167