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2-[[(E)-3-(4-fluorophenyl)acryloyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 6v2PS81XNA8
InChI InChI=1S/C21H21FN2O3S2/c1-2-27-20(26)18-15-5-3-4-6-16(15)29-19(18)24-21(28)23-17(25)12-9-13-7-10-14(22)11-8-13/h7-12H,2-6H2,1H3,(H2,23,24,25,28)/b12-9+
InChIKey IENRDYPFLABBLW-FMIVXFBMSA-N
Mol Weight 432.53 g/mol
Molecular Formula C21H21FN2O3S2
Exact Mass 432.097763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFTElt4EEMY
Name N-(4-FLUOROCINNAMOYL)-N'-(3-ETHOXYCARBONYL-4,5-TETRAMETHYLENE-2-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21FN2O3S2
InChI InChI=1S/C21H21FN2O3S2/c1-2-27-20(26)18-15-5-3-4-6-16(15)29-19(18)24-21(28)23-17(25)12-9-13-7-10-14(22)11-8-13/h7-12H,2-6H2,1H3,(H2,23,24,25,28)/b12-9+
InChIKey IENRDYPFLABBLW-FMIVXFBMSA-N
Molecular Weight 432.0973
SMILES N(C(NC(\C=C\c1ccc(F)cc1)=O)=S)c1sc2CCCCc2c1C(OCC)=O
SPLASH splash10-0005-9820000000-7dc0ee36759c7d99c070
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany