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N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide

View entire compound with spectra: 2 NMR

N-[5-(3-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
SpectraBase Compound ID K9PbbONB3SV
InChI InChI=1S/C19H19N3O2S/c1-3-16(13-8-5-4-6-9-13)17(23)20-19-22-21-18(25-19)14-10-7-11-15(12-14)24-2/h4-12,16H,3H2,1-2H3,(H,20,22,23)
InChIKey YWCYOQXNYKMQMY-UHFFFAOYSA-N
Mol Weight 353.44 g/mol
Molecular Formula C19H19N3O2S
Exact Mass 353.119798 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DLNbYyvHSTo
Name N-[5-(3-Methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbutanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 353.119798036 u
Formula C19H19N3O2S
InChI InChI=1S/C19H19N3O2S/c1-3-16(13-8-5-4-6-9-13)17(23)20-19-22-21-18(25-19)14-10-7-11-15(12-14)24-2/h4-12,16H,3H2,1-2H3,(H,20,22,23)
InChIKey YWCYOQXNYKMQMY-UHFFFAOYSA-N
Molecular Weight 353.440 g/mol
SMILES N(C=1SC(=NN1)C1=CC(OC)=CC=C1)C(C(C1=CC=CC=C1)CC)=O