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2-(2-Chlorophenyl)-4-((1-(4-methoxyphenyl)-5-morpholino-1H-1,2,3-triazol-4-yl)methyl)-4-phenyloxazol-5(4H)-one

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2-(2-Chlorophenyl)-4-((1-(4-methoxyphenyl)-5-morpholino-1H-1,2,3-triazol-4-yl)methyl)-4-phenyloxazol-5(4H)-one
SpectraBase Compound ID J9w2SJrbxKu
InChI InChI=1S/C29H26ClN5O4/c1-37-22-13-11-21(12-14-22)35-27(34-15-17-38-18-16-34)25(32-33-35)19-29(20-7-3-2-4-8-20)28(36)39-26(31-29)23-9-5-6-10-24(23)30/h2-14H,15-19H2,1H3
InChIKey NCGSAHBPWXGXIE-UHFFFAOYSA-N
Mol Weight 544.01 g/mol
Molecular Formula C29H26ClN5O4
Exact Mass 543.167332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID kH3XCXs3um
Name 2-(2-Chlorophenyl)-4-((1-(4-methoxyphenyl)-5-morpholino-1H-1,2,3-triazol-4-yl)methyl)-4-phenyloxazol-5(4H)-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 543.167332033 u
Formula C29H26ClN5O4
InChI InChI=1S/C29H26ClN5O4/c1-37-22-13-11-21(12-14-22)35-27(34-15-17-38-18-16-34)25(32-33-35)19-29(20-7-3-2-4-8-20)28(36)39-26(31-29)23-9-5-6-10-24(23)30/h2-14H,15-19H2,1H3
InChIKey NCGSAHBPWXGXIE-UHFFFAOYSA-N
Molecular Weight 544.011 g/mol
SMILES C(C1(C(OC(C=2C(Cl)=CC=CC2)=N1)=O)C1=CC=CC=C1)C1=C(N(N=N1)C1=CC=C(C=C1)OC)N1CCOCC1