John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=58HdUpt5mSy SpectraBase Spectrum ID=CN9kFfs2Eru

(accessed ).
2-Butylthio-cis-3a,4,5,6,7,7a-hexahydro-benzothiazole
SpectraBase Compound ID 58HdUpt5mSy
InChI InChI=1S/C11H19NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h9-10H,2-8H2,1H3
InChIKey VFQQULBGJHNANF-UHFFFAOYSA-N
Mol Weight 229.4 g/mol
Molecular Formula C11H19NS2
Exact Mass 229.095893 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CN9kFfs2Eru
Name 2-Butylthio-cis-3a,4,5,6,7,7a-hexahydro-benzothiazole
CAS Registry Number 77425-23-1
Comments SHIFTS REPORTED RELATIVE TO CBR4 ?
Copyright Copyright © 2002-2021 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C11H19NS2
InChI InChI=1S/C11H19NS2/c1-2-3-8-13-11-12-9-6-4-5-7-10(9)14-11/h9-10H,2-8H2,1H3
InChIKey VFQQULBGJHNANF-UHFFFAOYSA-N
Literature Reference R.C. Cambie, G.D. Mayer, P.S. Rutledge, J. Chem. Soc. Perkin I 52 (1981).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3
SpectraBase Batch ID 3uhQ1vPN5ti