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3-({[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

View entire compound with spectra: 2 NMR

3-({[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
SpectraBase Compound ID ARRiShF80y4
InChI InChI=1S/C20H20N2O3S/c1-10-3-6-14(11(2)7-10)15-9-26-20(21-15)22-18(23)16-12-4-5-13(8-12)17(16)19(24)25/h3-7,9,12-13,16-17H,8H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKey JOTQGCJYZQDHRF-UHFFFAOYSA-N
Mol Weight 368.45 g/mol
Molecular Formula C20H20N2O3S
Exact Mass 368.119464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2KB2IGMdqog
Name 3-({[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.119463683 u
Formula C20H20N2O3S
InChI InChI=1S/C20H20N2O3S/c1-10-3-6-14(11(2)7-10)15-9-26-20(21-15)22-18(23)16-12-4-5-13(8-12)17(16)19(24)25/h3-7,9,12-13,16-17H,8H2,1-2H3,(H,24,25)(H,21,22,23)
InChIKey JOTQGCJYZQDHRF-UHFFFAOYSA-N
Molecular Weight 368.451 g/mol
SMILES N(C(C1C2C=CC(C1C(=O)O)C2)=O)C1=NC(C2=C(C=C(C=C2)C)C)=CS1