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Ethyl[(2-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
SpectraBase Compound ID IAjjIkHN4WN
InChI InChI=1S/C20H18N2O4S/c1-4-24-20(23)18-11(2)17-12(3)21-16(22-19(17)27-18)8-6-13-5-7-14-15(9-13)26-10-25-14/h5-9H,4,10H2,1-3H3/b8-6+
InChIKey VJTXGJHQLBBTLE-SOFGYWHQSA-N
Mol Weight 382.43 g/mol
Molecular Formula C20H18N2O4S
Exact Mass 382.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdJt1JQmdQp
Name Ethyl[(2-(benzo[d]-(1,3)-dioxol-5'-yl)vinyl]-4,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C20H18N2O4S
InChI InChI=1S/C20H18N2O4S/c1-4-24-20(23)18-11(2)17-12(3)21-16(22-19(17)27-18)8-6-13-5-7-14-15(9-13)26-10-25-14/h5-9H,4,10H2,1-3H3/b8-6+
InChIKey VJTXGJHQLBBTLE-SOFGYWHQSA-N
Molecular Weight 382.434 g/mol
SMILES c12c(c(C)c(s2)C(=O)OCC)c(nc(n1)\C=C\c1cc2OCOc2cc1)C
SPLASH splash10-0006-0009100000-d116ddfd4068ee531b74
Source of Spectrum AH-139-583-7
Wiley ID 1695669