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{(1R*,5R*)-3-Methyl-1-[2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.1.0]hex-1-yl]}butan-2-one
SpectraBase Compound ID 52lInwFjgOG
InChI InChI=1S/C17H23NO3S/c1-12(2)16(19)11-17-10-14(17)8-9-18(17)22(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3/t14-,17-/m1/s1
InChIKey GXBJXTWBWCPSGQ-RHSMWYFYSA-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 3ae2dyKRqIv
Name {(1R*,5R*)-3-Methyl-1-[2-(4-methylbenzenesulfonyl)-2-azabicyclo[3.1.0]hex-1-yl]}butan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO3S
InChI InChI=1S/C17H23NO3S/c1-12(2)16(19)11-17-10-14(17)8-9-18(17)22(20,21)15-6-4-13(3)5-7-15/h4-7,12,14H,8-11H2,1-3H3/t14-,17-/m1/s1
InChIKey GXBJXTWBWCPSGQ-RHSMWYFYSA-N
Molecular Weight 321.435 g/mol
SMILES [C@]12(N(S(c3ccc(cc3)C)(=O)=O)CC[C@]1([H])C2)CC(=O)C(C)C
SPLASH splash10-014i-8900000000-095b384fa34dfbdfe08b
Source of Spectrum F-65-1830-71
Wiley ID 1681661