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Ethyl 4,5-dihydro-2,5-dimethyl-4-phenyl-5-(2-thienyl)furan-3-carboxylate
SpectraBase Compound ID jALFsLcCEf
InChI InChI=1S/C19H20O3S/c1-4-21-18(20)16-13(2)22-19(3,15-11-8-12-23-15)17(16)14-9-6-5-7-10-14/h5-12,17H,4H2,1-3H3
InChIKey ZKVKNMATCDNXGG-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C19H20O3S
Exact Mass 328.113316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rHbz0CSTu9
Name Ethyl 4,5-dihydro-2,5-dimethyl-4-phenyl-5-(2-thienyl)furan-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 328.113315675 u
Formula C19H20O3S
InChI InChI=1S/C19H20O3S/c1-4-21-18(20)16-13(2)22-19(3,15-11-8-12-23-15)17(16)14-9-6-5-7-10-14/h5-12,17H,4H2,1-3H3
InChIKey ZKVKNMATCDNXGG-UHFFFAOYSA-N
Molecular Weight 328.426 g/mol
SMILES C1=C(SC=C1)C1(C(C2=CC=CC=C2)C(C(OCC)=O)=C(C)O1)C