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Diethyl 2(1-Propenyl)-3-benzo[b]thiophenemalonate
SpectraBase Compound ID AumTRImKeLn
InChI InChI=1S/C18H20O4S/c1-4-9-14-15(12-10-7-8-11-13(12)23-14)16(17(19)21-5-2)18(20)22-6-3/h4,7-11,16H,5-6H2,1-3H3/b9-4+
InChIKey BXCGDPYKWGQAPK-RUDMXATFSA-N
Mol Weight 332.41 g/mol
Molecular Formula C18H20O4S
Exact Mass 332.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4a7yfqYNwm4
Name Diethyl 2(1-Propenyl)-3-benzo[b]thiophenemalonate
Alternate Name(s) Diethyl 2-{2-[(1E)-1-propenyl]-1-benzothien-3-yl}malonate
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Formula C18H20O4S
InChI InChI=1S/C18H20O4S/c1-4-9-14-15(12-10-7-8-11-13(12)23-14)16(17(19)21-5-2)18(20)22-6-3/h4,7-11,16H,5-6H2,1-3H3/b9-4+
InChIKey BXCGDPYKWGQAPK-RUDMXATFSA-N
Molecular Weight 332.414 g/mol
SMILES c1(c(sc2c1cccc2)\C=C\C)C(C(=O)OCC)C(=O)OCC
SPLASH splash10-000i-0904000000-d72a7f110d8f6dfb488b
Source of Spectrum J-58-4367-12
Wiley ID 1329332