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(3E)-3-(4-isopropylbenzylidene)-2-phenyl-thiochroman-4-one
SpectraBase Compound ID 4h2Qac7AAoc
InChI InChI=1S/C25H22OS/c1-17(2)19-14-12-18(13-15-19)16-22-24(26)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-17,25H,1-2H3/b22-16+
InChIKey TXFUTXMDAXLXNW-CJLVFECKSA-N
Mol Weight 370.51 g/mol
Molecular Formula C25H22OS
Exact Mass 370.139137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GdAR4kVvkZH
Name (3E)-3-(4-isopropylbenzylidene)-2-phenyl-thiochroman-4-one
Compound Number 3B-Z
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22OS
InChI InChI=1S/C25H22OS/c1-17(2)19-14-12-18(13-15-19)16-22-24(26)21-10-6-7-11-23(21)27-25(22)20-8-4-3-5-9-20/h3-17,25H,1-2H3/b22-16+
InChIKey TXFUTXMDAXLXNW-CJLVFECKSA-N
Literature Reference Author G.TOTH,J.HALASZ,A.LEVAI,C.NEMES,T.PATONAY
Literature Reference Citation J.CHEM.SOC.PERKIN-2,547(1996)
Literature Reference DOI 10.1039/p29960000547
Molecular Weight 370.509 g/mol
Solvent C6D6
Source File Reference UWCP8183