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Ethyl 4-((N-benzyl-4-methylphenyl)sulfonamido)-2-methyl-3-phenylquinoline-6-carboxylate
SpectraBase Compound ID KDtqtSRjoig
InChI InChI=1S/C33H30N2O4S/c1-4-39-33(36)27-17-20-30-29(21-27)32(31(24(3)34-30)26-13-9-6-10-14-26)35(22-25-11-7-5-8-12-25)40(37,38)28-18-15-23(2)16-19-28/h5-21H,4,22H2,1-3H3
InChIKey UMJJAYOMRNUZDC-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C33H30N2O4S
Exact Mass 550.192629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID v22fc5AO7A
Name Ethyl 4-((N-benzyl-4-methylphenyl)sulfonamido)-2-methyl-3-phenylquinoline-6-carboxylate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H30N2O4S
InChI InChI=1S/C33H30N2O4S/c1-4-39-33(36)27-17-20-30-29(21-27)32(31(24(3)34-30)26-13-9-6-10-14-26)35(22-25-11-7-5-8-12-25)40(37,38)28-18-15-23(2)16-19-28/h5-21H,4,22H2,1-3H3
InChIKey UMJJAYOMRNUZDC-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201511385
Molecular Weight 550.673 g/mol
Quality 44
Reported Formula C33H30N2O4(32)S
SMILES C1(N(CC2=CC=CC=C2)S(C2=CC=C(C=C2)C)(=O)=O)=C(C(=NC2=C1C=C(C=C2)C(OCC)=O)C)C1=CC=CC=C1
SPLASH splash10-052f-9603000000-393a7c7011d6965fb6ce
Source of Spectrum ACI-55-SM32-45 (DOI: 10.1002/anie.201511385)
Thin-Layer Chromatography 0.35 (cHex/EtOAc, 5:1)
Wiley ID 1895175