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benzoic acid, 3-[5-[(Z)-(3-oxobenzo[b]thien-2(3H)-ylidene)methyl]-2-furanyl]-, methyl ester
SpectraBase Compound ID DYpOp7iFiM3
InChI InChI=1S/C21H14O4S/c1-24-21(23)14-6-4-5-13(11-14)17-10-9-15(25-17)12-19-20(22)16-7-2-3-8-18(16)26-19/h2-12H,1H3/b19-12-
InChIKey XOXUDDMFGQEKSP-UNOMPAQXSA-N
Mol Weight 362.4 g/mol
Molecular Formula C21H14O4S
Exact Mass 362.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SadkAYwYQd
Name 3-[5-[(Z)-(3-ketobenzothiophen-2-ylidene)methyl]-2-furyl]benzoic acid methyl ester
Alternate Name(s) 3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]-2-furanyl]benzoic acid methyl ester Methyl 3-[5-[(Z)-(3-oxidanylidene-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate Methyl 3-[5-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]furan-2-yl]benzoate Methyl 3-[5-[(Z)-(3-oxobenzothiophen-2-ylidene)methyl]-2-furyl]benzoate Methyl 3-{5-[(3-oxo-1-benzothien-2(3H)-ylidene)methyl]-2-furyl}benzoate
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Formula C21H14O4S
InChI InChI=1S/C21H14O4S/c1-24-21(23)14-6-4-5-13(11-14)17-10-9-15(25-17)12-19-20(22)16-7-2-3-8-18(16)26-19/h2-12H,1H3/b19-12-
InChIKey XOXUDDMFGQEKSP-UNOMPAQXSA-N
Molecular Weight 362.399 g/mol
SMILES c12S\C(C(c1cccc2)=O)=C\c1oc(-c2cc(C(=O)OC)ccc2)cc1
SPLASH splash10-03di-1329000000-12fd181b97996e3e1658
Wiley ID 1452838