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4-[5-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid
SpectraBase Compound ID 9fpTihUx00y
InChI InChI=1S/C20H12O4S/c21-19-15-3-1-2-4-17(15)25-18(19)11-14-9-10-16(24-14)12-5-7-13(8-6-12)20(22)23/h1-11H,(H,22,23)/b18-11-
InChIKey TUTOSSAWRZMQLM-WQRHYEAKSA-N
Mol Weight 348.37 g/mol
Molecular Formula C20H12O4S
Exact Mass 348.04563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF4IxsLADx3
Name 4-[5-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H12O4S
InChI InChI=1S/C20H12O4S/c21-19-15-3-1-2-4-17(15)25-18(19)11-14-9-10-16(24-14)12-5-7-13(8-6-12)20(22)23/h1-11H,(H,22,23)/b18-11-
InChIKey TUTOSSAWRZMQLM-WQRHYEAKSA-N
Molecular Weight 348.372 g/mol
SMILES OC(c1ccc(-c2oc(\C=C\3Sc4ccccc4C3=O)cc2)cc1)=O
SPLASH splash10-0005-9313000000-b893e894e2514e00542b
Synonyms 4-[5-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid 4-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-2-furanyl]benzoic acid 4-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoic acid 4-[5-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid
Wiley ID 1452322