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(4R)-4-Methoxycarbonyl-4-methyl-2-cinnamyl-.deata.(2)-thiazoline
SpectraBase Compound ID L1Rys9xqRVA
InChI InChI=1S/C14H15NO2S/c1-14(13(16)17-2)10-18-12(15-14)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+/t14-/m0/s1
InChIKey HCWUWMMLDHSGMY-VFNNOXKTSA-N
Mol Weight 261.34 g/mol
Molecular Formula C14H15NO2S
Exact Mass 261.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LwMUMYqPknl
Name (4R)-4-Methoxycarbonyl-4-methyl-2-cinnamyl-.deata.(2)-thiazoline
Comments Computed using HOSE algorithm
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Exact Mass 261.082349899 u
Formula C14H15NO2S
InChI InChI=1S/C14H15NO2S/c1-14(13(16)17-2)10-18-12(15-14)9-8-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3/b9-8+/t14-/m0/s1
InChIKey HCWUWMMLDHSGMY-VFNNOXKTSA-N
Molecular Weight 261.339 g/mol
SMILES [C@]1(N=C(\C=C\C=2C=CC=CC2)SC1)(C(=O)OC)C