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#13;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLOXYCARBONYL]-PROPYL-AMMONIUM-TRIFLUOR

View entire compound with spectra: 1 NMR

#13;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLOXYCARBONYL]-PROPYL-AMMONIUM-TRIFLUOR
SpectraBase Compound ID D7AASHhevra
InChI InChI=1S/C31H29ClF3N3O7S/c1-17(29(42)43)38(30(44)31(33,34)35)28(41)23(36)10-11-25(39)45-16-18-2-4-20(5-3-18)27(40)37-14-12-24-22(13-15-46-24)26(37)19-6-8-21(32)9-7-19/h2-9,13,15,17,23,26H,10-12,14,16,36H2,1H3,(H,42,43)/t17-,23-,26?/m0/s1
InChIKey IAEMBNJKRXAAFX-UPGQQFAESA-N
Mol Weight 680.1 g/mol
Molecular Formula C31H29ClF3N3O7S
Exact Mass 679.136684 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2FNrFkkHguz
Name #13;1-(1-CARBOXY-ETHYLCARBAMOYL)-3-[4-[4-(4-CHLOROPHENYL)-4,5,6,7-TETRAHYDRO-4H-THIENO-[3,2-C]-PYRIDINE-5-CARBONYL]-BENZYLOXYCARBONYL]-PROPYL-AMMONIUM-TRIFLUOR
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H29ClF3N3O7S
InChI InChI=1S/C31H29ClF3N3O7S/c1-17(29(42)43)38(30(44)31(33,34)35)28(41)23(36)10-11-25(39)45-16-18-2-4-20(5-3-18)27(40)37-14-12-24-22(13-15-46-24)26(37)19-6-8-21(32)9-7-19/h2-9,13,15,17,23,26H,10-12,14,16,36H2,1H3,(H,42,43)/t17-,23-,26?/m0/s1
InChIKey IAEMBNJKRXAAFX-UPGQQFAESA-N
Literature Reference Author G.M.FRIEDRICHSEN,P.JACOBSEN,M.TAUB,M.BEGTRUP
Literature Reference Citation BIOORG.MED.CHEM.,9,2625(2001)
Literature Reference DOI 10.1016/S0968-0896(01)00066-9
Molecular Weight 680.095 g/mol
Solvent DMSO
Source File Reference UWMS22229