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hexahydro-2H-azepine-2-thione

View entire compound with spectra: 9 NMR, 2 FTIR, and 4 MS (GC)

hexahydro-2H-azepine-2-thione
SpectraBase Compound ID 4lNVDYJJQ8w
InChI InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey APLHDUWNMGJBFD-UHFFFAOYSA-N
Mol Weight 129.22 g/mol
Molecular Formula C6H11NS
Exact Mass 129.061221 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kCo30SCWKr
Name omega-Thiocaprolactam
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number T28282
CAS Registry Number 7203-96-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H11NS
InChI InChI=1S/C6H11NS/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
InChIKey APLHDUWNMGJBFD-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 2-Thioxohexamethyleneimine
Wiley ID SIAL_13CNMR_012803