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3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, ethyl ester

View entire compound with spectra: 2 NMR

3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, ethyl ester
SpectraBase Compound ID LfcWQFFzep6
InChI InChI=1S/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-20-7-5-6-19(28)14(20)2)35-24(21)30-26(33)27-11-16-8-17(12-27)10-18(9-16)13-27/h5-7,16-18H,4,8-13H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,18-,27-
InChIKey MYCUDSDGJJQRHS-HYVKCOOLSA-N
Mol Weight 515.07 g/mol
Molecular Formula C27H31ClN2O4S
Exact Mass 514.169306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYAT2u2iCof
Name 3-Thiophenecarboxylic acid, 5-[[(3-chloro-2-methylphenyl)amino]carbonyl]-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 514.169306356 u
Formula C27H31ClN2O4S
InChI InChI=1S/C27H31ClN2O4S/c1-4-34-25(32)21-15(3)22(23(31)29-20-7-5-6-19(28)14(20)2)35-24(21)30-26(33)27-11-16-8-17(12-27)10-18(9-16)13-27/h5-7,16-18H,4,8-13H2,1-3H3,(H,29,31)(H,30,33)/t16-,17+,18-,27-
InChIKey MYCUDSDGJJQRHS-HYVKCOOLSA-N
Molecular Weight 515.068 g/mol
SMILES N(C(C1=C(C(=C(S1)NC(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O)C(=O)OCC)C)=O)C=1C(=C(Cl)C=CC1)C