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N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide

View entire compound with spectra: 2 NMR

N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide
SpectraBase Compound ID 8SGMgpVc2aM
InChI InChI=1S/C15H16N4OS/c1-2-5-13(20)17-15-19-18-14(21-15)8-10-9-16-12-7-4-3-6-11(10)12/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,17,19,20)
InChIKey BCAWMIGIEUDMPN-UHFFFAOYSA-N
Mol Weight 300.38 g/mol
Molecular Formula C15H16N4OS
Exact Mass 300.104482 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gF02b7loJP
Name N-[5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]butanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 300.104482324 u
Formula C15H16N4OS
InChI InChI=1S/C15H16N4OS/c1-2-5-13(20)17-15-19-18-14(21-15)8-10-9-16-12-7-4-3-6-11(10)12/h3-4,6-7,9,16H,2,5,8H2,1H3,(H,17,19,20)
InChIKey BCAWMIGIEUDMPN-UHFFFAOYSA-N
Molecular Weight 300.380 g/mol
SMILES N1C2=C(C(CC=3SC(=NN3)NC(=O)CCC)=C1)C=CC=C2