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N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide

View entire compound with spectra: 2 NMR

N-[2-(ethylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
SpectraBase Compound ID EGdLI2sORcC
InChI InChI=1S/C18H18N2OS2/c1-2-22-18-20-15-10-9-14(12-16(15)23-18)19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,21)
InChIKey CQPGURCLTLTKSC-UHFFFAOYSA-N
Mol Weight 342.48 g/mol
Molecular Formula C18H18N2OS2
Exact Mass 342.086056 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gTral9B7R1
Name N-[2-(Ethylsulfanyl)-1,3-benzothiazol-6-yl]-3-phenylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 342.086055555 u
Formula C18H18N2OS2
InChI InChI=1S/C18H18N2OS2/c1-2-22-18-20-15-10-9-14(12-16(15)23-18)19-17(21)11-8-13-6-4-3-5-7-13/h3-7,9-10,12H,2,8,11H2,1H3,(H,19,21)
InChIKey CQPGURCLTLTKSC-UHFFFAOYSA-N
Molecular Weight 342.475 g/mol
SMILES N(C(=O)CCC1=CC=CC=C1)C=1C=C2SC(=NC2=CC1)SCC