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Methyl 3-methyl-4-(1-methyl-5-oxo-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)-benzoate
SpectraBase Compound ID Li2eG4bqQtR
InChI InChI=1S/C23H25NO5S/c1-15-5-8-18(9-6-15)30(27,28)24-12-20(25)23(13-22(23,3)14-24)19-10-7-17(11-16(19)2)21(26)29-4/h5-11H,12-14H2,1-4H3
InChIKey XOHAPGUAUGBUCC-UHFFFAOYSA-N
Mol Weight 427.52 g/mol
Molecular Formula C23H25NO5S
Exact Mass 427.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5fs4N3bTaRg
Name Methyl 3-methyl-4-(1-methyl-5-oxo-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)-benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO5S
InChI InChI=1S/C23H25NO5S/c1-15-5-8-18(9-6-15)30(27,28)24-12-20(25)23(13-22(23,3)14-24)19-10-7-17(11-16(19)2)21(26)29-4/h5-11H,12-14H2,1-4H3
InChIKey XOHAPGUAUGBUCC-UHFFFAOYSA-N
Molecular Weight 427.515 g/mol
SMILES C12(C)C(C2)(C(=O)CN(S(c2ccc(cc2)C)(=O)=O)C1)c1ccc(cc1C)C(OC)=O
SPLASH splash10-00di-0090100000-3df39b99bb9da0233b09
Source of Spectrum KD-51-12819/SM13-2k
Synonyms Methyl 3-methyl-4-(1-methyl-5-oxo-3-tosyl-3-azabicyclo[4.1.0]heptan-6-yl)benzoate
Wiley ID 1806453