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METHYL-(Z)-4,4-DIMETHYL-3-PHENYLTHIO-2-PENTENOATE
SpectraBase Compound ID CoGgghyMeql
InChI InChI=1S/C14H18O2S/c1-14(2,3)12(10-13(15)16-4)17-11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10-
InChIKey BOUYCUOHOPIPLK-BENRWUELSA-N
Mol Weight 250.36 g/mol
Molecular Formula C14H18O2S
Exact Mass 250.102751 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Qj3EBAoPum
Name METHYL-(Z)-4,4-DIMETHYL-3-PHENYLTHIO-2-PENTENOATE
Compound Number 3D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H18O2S
InChI InChI=1S/C14H18O2S/c1-14(2,3)12(10-13(15)16-4)17-11-8-6-5-7-9-11/h5-10H,1-4H3/b12-10-
InChIKey BOUYCUOHOPIPLK-BENRWUELSA-N
Literature Reference Author R.HUA,H.TAKEDA,S.Y.ONOZAWA,Y.ABE,M.TANAKA
Literature Reference Citation J.AM.CHEM.SOC.,123,2899(2001)
Literature Reference DOI 10.1021/ja004063t
Molecular Weight 250.356 g/mol
Solvent CDCl3
Source File Reference UWSI25574