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5-SPIRO-CYCLOHEXYL-3-CARBOMETHOXY-2-PHENYL-2,5-DIHYDROTHIOPHENE

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5-SPIRO-CYCLOHEXYL-3-CARBOMETHOXY-2-PHENYL-2,5-DIHYDROTHIOPHENE
SpectraBase Compound ID EFmMesM6hjz
InChI InChI=1S/C17H20O2S/c1-19-16(18)14-12-17(10-6-3-7-11-17)20-15(14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKey USEAITSPMVVPAP-UHFFFAOYSA-N
Mol Weight 288.4 g/mol
Molecular Formula C17H20O2S
Exact Mass 288.118401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83iUhot49Tp
Name 1-Thia-spiro(4.5)dec-3-ene-2-phenyl-3-carboxylic acid, methyl ester
CAS Registry Number 66982-58-9
Comments BRUKER CXP-100
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H20O2S
InChI InChI=1S/C17H20O2S/c1-19-16(18)14-12-17(10-6-3-7-11-17)20-15(14)13-8-4-2-5-9-13/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3
InChIKey USEAITSPMVVPAP-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference J. Mc Intosh, Can. J. Chem. 57, 131 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3