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(3Z,5Z)-3,5-Bis(4-methoxybenzylidene)-tetrahydrothiopyran-4-one
SpectraBase Compound ID DwySDe7mowK
InChI InChI=1S/C21H20O3S/c1-23-19-7-3-15(4-8-19)11-17-13-25-14-18(21(17)22)12-16-5-9-20(24-2)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+
InChIKey JNRJHGLBAWJZGM-JYFOCSDGSA-N
Mol Weight 352.45 g/mol
Molecular Formula C21H20O3S
Exact Mass 352.113316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LIddPQqVE
Name (3Z,5Z)-3,5-Bis(4-methoxybenzylidene)-tetrahydrothiopyran-4-one
Alternate Name(s) 3,5-bis((Z)-4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O3S
InChI InChI=1S/C21H20O3S/c1-23-19-7-3-15(4-8-19)11-17-13-25-14-18(21(17)22)12-16-5-9-20(24-2)10-6-16/h3-12H,13-14H2,1-2H3/b17-11+,18-12+
InChIKey JNRJHGLBAWJZGM-JYFOCSDGSA-N
Literature Reference DOI 10.1002/hc.20252
Molecular Weight 352.448 g/mol
SMILES C1\C(C(\C(CS1)=C\c1ccc(cc1)OC)=O)=C/c1ccc(cc1)OC
SPLASH splash10-0udj-0902000000-9c17f728e6f2023070d2
Source of Spectrum HAC-18-47-2b
Wiley ID 1783745