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(3S,4R)-4-(4-chloroanilino)tetrahydro-3-thiophenol 1,1-dioxide
SpectraBase Compound ID D3PQdGl2fve
InChI InChI=1S/C10H12ClNO3S/c11-7-1-3-8(4-2-7)12-9-5-16(14,15)6-10(9)13/h1-4,9-10,12-13H,5-6H2
InChIKey BGCCMXFVNQHEJF-UHFFFAOYSA-N
Mol Weight 261.72 g/mol
Molecular Formula C10H12ClNO3S
Exact Mass 261.022642 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KX0fGkyKNiB
Name (3S,4R)-4-(4-chloroanilino)tetrahydro-3-thiophenol 1,1-dioxide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C10H12ClNO3S/c11-7-1-3-8(4-2-7)12-9-5-16(14,15)6-10(9)13/h1-4,9-10,12-13H,5-6H2
InChIKey BGCCMXFVNQHEJF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10161
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D68246; Labnumber: PAR1784; SBI_ID: SBI-010164
Synonyms 4-(4-chloroanilino)tetrahydro-3-thiophenol 1,1-dioxide
Temperature 306 °C