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Isopropyl 2-({[2-(4-isobutylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Isopropyl 2-({[2-(4-isobutylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate
SpectraBase Compound ID BuMoqICCTuM
InChI InChI=1S/C38H46N2O3S/c1-25(2)23-27-19-21-28(22-20-27)33-24-31(29-15-13-14-17-32(29)39-33)36(41)40-37-35(38(42)43-26(3)4)30-16-11-9-7-5-6-8-10-12-18-34(30)44-37/h13-15,17,19-22,24-26H,5-12,16,18,23H2,1-4H3,(H,40,41)
InChIKey AJBVXIUHHRXJQB-UHFFFAOYSA-N
Mol Weight 610.9 g/mol
Molecular Formula C38H46N2O3S
Exact Mass 610.322915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E9Io4JVenp3
Name Isopropyl 2-({[2-(4-isobutylphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 610.322914520 u
Formula C38H46N2O3S
InChI InChI=1S/C38H46N2O3S/c1-25(2)23-27-19-21-28(22-20-27)33-24-31(29-15-13-14-17-32(29)39-33)36(41)40-37-35(38(42)43-26(3)4)30-16-11-9-7-5-6-8-10-12-18-34(30)44-37/h13-15,17,19-22,24-26H,5-12,16,18,23H2,1-4H3,(H,40,41)
InChIKey AJBVXIUHHRXJQB-UHFFFAOYSA-N
Molecular Weight 610.857 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCCCCCCCC2)S1)C(C1=CC(C2=CC=C(C=C2)CC(C)C)=NC=2C1=CC=CC2)=O