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

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3-thiophenecarboxylic acid, 4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-,
SpectraBase Compound ID HyK1AeX3Hng
InChI InChI=1S/C27H32N2O4S/c1-4-33-25(31)21-16(3)22(23(30)28-20-8-6-5-7-15(20)2)34-24(21)29-26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h5-8,17-19H,4,9-14H2,1-3H3,(H,28,30)(H,29,32)/t17-,18+,19-,27-
InChIKey CWGXXDMNQFMLEB-VGVMWRDJSA-N
Mol Weight 480.6 g/mol
Molecular Formula C27H32N2O4S
Exact Mass 480.208279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Atm7D5a15li
Name 3-thiophenecarboxylic acid, 4-methyl-5-[[(2-methylphenyl)amino]carbonyl]-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbonyl)amino]-,
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.208278688 u
Formula C27H32N2O4S
InChI InChI=1S/C27H32N2O4S/c1-4-33-25(31)21-16(3)22(23(30)28-20-8-6-5-7-15(20)2)34-24(21)29-26(32)27-12-17-9-18(13-27)11-19(10-17)14-27/h5-8,17-19H,4,9-14H2,1-3H3,(H,28,30)(H,29,32)/t17-,18+,19-,27-
InChIKey CWGXXDMNQFMLEB-VGVMWRDJSA-N
Molecular Weight 480.623 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_8190
Solvent DMSO-d6
Source Vendor ID: NMR/9253273; Lab Info: SAS; Lab Number: SAS-TST1525
Temperature 29.85 °C