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7-Azabicyclo[4.1.0]heptane-7-carboximidic acid, N-(methylsulfonyl)-, 2,6-dimethylphenyl ester
SpectraBase Compound ID 7PFXesoFmqD
InChI InChI=1S/C16H22N2O3S/c1-11-7-6-8-12(2)15(11)21-16(17-22(3,19)20)18-13-9-4-5-10-14(13)18/h6-8,13-14H,4-5,9-10H2,1-3H3/b17-16+
InChIKey BHEZDQOOVPELSA-WUKNDPDISA-N
Mol Weight 322.42 g/mol
Molecular Formula C16H22N2O3S
Exact Mass 322.135114 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbOZ3u4386L
Name 7-Azabicyclo[4.1.0]heptane-7-carboximidic acid, N-(methylsulfonyl)-, 2,6-dimethylphenyl ester
CAS Registry Number 121868-19-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O3S
InChI InChI=1S/C16H22N2O3S/c1-11-7-6-8-12(2)15(11)21-16(17-22(3,19)20)18-13-9-4-5-10-14(13)18/h6-8,13-14H,4-5,9-10H2,1-3H3/b17-16+
InChIKey BHEZDQOOVPELSA-WUKNDPDISA-N
Molecular Weight 322.423 g/mol
SMILES CS(\N=C/(N1C2CCCCC12)Oc1c(cccc1C)C)(=O)=O
SPLASH splash10-0fk9-1960000000-a7a031a175c25c41d310
Source of Spectrum J-54-3950-21
Synonyms 7-(N'-(methylsulfonyl)(2,6-dimethylphenoxy)carbimidoyl)-7-azabicyclo[4.1.0]heptane N-[(E)-7-azabicyclo[4.1.0]hept-7-yl(2,6-dimethylphenoxy)methylidene]methanesulfonamide
Wiley ID 1321518