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2-[(E)-(3,4,5-trimethoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID LPluSgtLdPy
InChI InChI=1S/C21H25NO5S/c1-5-27-21(23)18-14-8-6-7-9-17(14)28-20(18)22-12-13-10-15(24-2)19(26-4)16(11-13)25-3/h10-12H,5-9H2,1-4H3/b22-12+
InChIKey QXIIWONLKYFOFU-WSDLNYQXSA-N
Mol Weight 403.49 g/mol
Molecular Formula C21H25NO5S
Exact Mass 403.145344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd0KjKbLTJJ
Name 2-[(E)-(3,4,5-trimethoxybenzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(E)-(3,4,5-trimethoxyphenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C21H25NO5S
InChI InChI=1S/C21H25NO5S/c1-5-27-21(23)18-14-8-6-7-9-17(14)28-20(18)22-12-13-10-15(24-2)19(26-4)16(11-13)25-3/h10-12H,5-9H2,1-4H3/b22-12+
InChIKey QXIIWONLKYFOFU-WSDLNYQXSA-N
Molecular Weight 403.493 g/mol
SMILES c1(c(c2CCCCc2s1)C(=O)OCC)\N=C\c1cc(OC)c(c(c1)OC)OC
SPLASH splash10-0zfr-3946400000-cf008bb21750ae82ada4
Wiley ID 1442440