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N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-4-phenylbutanamide
SpectraBase Compound ID CFEPuwvrjsV
InChI InChI=1S/C20H20N2O2S/c1-24-17-12-10-16(11-13-17)18-14-25-20(21-18)22-19(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,21,22,23)
InChIKey IHGRMYRQVGJEAM-UHFFFAOYSA-N
Mol Weight 352.45 g/mol
Molecular Formula C20H20N2O2S
Exact Mass 352.124549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9qbxvJ6nQAc
Name N-[4-(4-Methoxyphenyl)-1,3-thiazol-2-yl]-4-phenylbutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.124549064 u
Formula C20H20N2O2S
InChI InChI=1S/C20H20N2O2S/c1-24-17-12-10-16(11-13-17)18-14-25-20(21-18)22-19(23)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-14H,5,8-9H2,1H3,(H,21,22,23)
InChIKey IHGRMYRQVGJEAM-UHFFFAOYSA-N
Molecular Weight 352.452 g/mol
SMILES N(C1=NC(C2=CC=C(C=C2)OC)=CS1)C(=O)CCCC1=CC=CC=C1