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Ethyl 2-[4-(Ethoxycarbonyl)-2-cyanoselenophenyl][1]benzothiophene-6-carboxylate
SpectraBase Compound ID HIFR7G6S5vu
InChI InChI=1S/C21H17NO4SSe/c1-3-25-20(23)14-6-5-13-9-18(27-17(13)10-14)16-8-7-15(21(24)26-4-2)11-19(16)28-12-22/h5-11H,3-4H2,1-2H3
InChIKey RPGNQVXRYGUKCG-UHFFFAOYSA-N
Mol Weight 458.4 g/mol
Molecular Formula C21H17NO4SSe
Exact Mass 459.004351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ziepp2G
Name Ethyl 2-[4-(Ethoxycarbonyl)-2-cyanoselenophenyl][1]benzothiophene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17NO4SSe
InChI InChI=1S/C21H17NO4SSe/c1-3-25-20(23)14-6-5-13-9-18(27-17(13)10-14)16-8-7-15(21(24)26-4-2)11-19(16)28-12-22/h5-11H,3-4H2,1-2H3
InChIKey RPGNQVXRYGUKCG-UHFFFAOYSA-N
Molecular Weight 458.402 g/mol
SMILES c1(sc2cc(C(=O)OCC)ccc2c1)-c1c(cc(C(=O)OCC)cc1)[Se]C#N
SPLASH splash10-0a59-0000900000-b45716fe068273a54937
Source of Spectrum J-58-5217-31
Wiley ID 1390177