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4-(p-Tolylsulfonyl)hexahydro-1,4-thiazepine

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4-(p-Tolylsulfonyl)hexahydro-1,4-thiazepine
SpectraBase Compound ID 7vlkM4m0KRq
InChI InChI=1S/C12H17NO2S2/c1-11-3-5-12(6-4-11)17(14,15)13-7-2-9-16-10-8-13/h3-6H,2,7-10H2,1H3
InChIKey PWVIQDRLXPSKSD-UHFFFAOYSA-N
Mol Weight 271.39 g/mol
Molecular Formula C12H17NO2S2
Exact Mass 271.070071 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5oGpggNu2aS
Name 4-(p-Tolylsulfonyl)hexahydro-1,4-thiazepine
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 345873
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO2S2
InChI InChI=1S/C12H17NO2S2/c1-11-3-5-12(6-4-11)17(14,15)13-7-2-9-16-10-8-13/h3-6H,2,7-10H2,1H3
InChIKey PWVIQDRLXPSKSD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007200