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1-(A-Acetoxy-benzylthio)-6-(2-thiocyanato-ethyl)-cycloheptatriene
SpectraBase Compound ID DK4GhdBez7p
InChI InChI=1S/C19H19NO2S2/c1-15(21)22-19(17-8-3-2-4-9-17)24-18-10-6-5-7-16(13-18)11-12-23-14-20/h2-10,19H,11-13H2,1H3
InChIKey YKEMPMFVYAIUBU-UHFFFAOYSA-N
Mol Weight 357.49 g/mol
Molecular Formula C19H19NO2S2
Exact Mass 357.085721 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KvU4phgwMht
Name 1-(A-Acetoxy-benzylthio)-6-(2-thiocyanato-ethyl)-cycloheptatriene
CAS Registry Number 90970-11-9
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H19NO2S2
InChI InChI=1S/C19H19NO2S2/c1-15(21)22-19(17-8-3-2-4-9-17)24-18-10-6-5-7-16(13-18)11-12-23-14-20/h2-10,19H,11-13H2,1H3
InChIKey YKEMPMFVYAIUBU-UHFFFAOYSA-N
Instrument Name Jeol GX-400
Literature Reference R. Okazaki, T. Hasegawa, Y. Shishido, J. Am. Chem. Soc. 106, 5271 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3