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1-(4-Methoxy-phenyl)-2-(cis-3a,4,5,6,7,7a-hexahydro)-benzothiazol-2-yl)-acetylene
SpectraBase Compound ID abgyGTUSic
InChI InChI=1S/C16H17NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h6-7,9-10,14-15H,2-5H2,1H3
InChIKey DMALHTSISHXZSE-UHFFFAOYSA-N
Mol Weight 271.38 g/mol
Molecular Formula C16H17NOS
Exact Mass 271.103085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwBFVamNwcn
Name 1-(4-Methoxy-phenyl)-2-(cis-3a,4,5,6,7,7a-hexahydro)-benzothiazol-2-yl)-acetylene
CAS Registry Number 77469-23-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H17NOS
InChI InChI=1S/C16H17NOS/c1-18-13-9-6-12(7-10-13)8-11-16-17-14-4-2-3-5-15(14)19-16/h6-7,9-10,14-15H,2-5H2,1H3
InChIKey DMALHTSISHXZSE-UHFFFAOYSA-N
Literature Reference R.C. Cambie, D. Chambers, P.S. Rutledge, J. Chem. Soc. Perkin I 40 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported