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N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-phenylbutanamide

View entire compound with spectra: 2 NMR

N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-phenylbutanamide
SpectraBase Compound ID 8t4WoadasyG
InChI InChI=1S/C18H18N2O3S2/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(25(2,22)23)11-16(15)24-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)
InChIKey RFBJWPQZQYTGMS-UHFFFAOYSA-N
Mol Weight 374.47 g/mol
Molecular Formula C18H18N2O3S2
Exact Mass 374.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IpjANzp3rpE
Name N-[6-(Methylsulfonyl)-1,3-benzothiazol-2-yl]-2-phenylbutanamide
Comments Computed using HOSE algorithm
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Exact Mass 374.075884793 u
Formula C18H18N2O3S2
InChI InChI=1S/C18H18N2O3S2/c1-3-14(12-7-5-4-6-8-12)17(21)20-18-19-15-10-9-13(25(2,22)23)11-16(15)24-18/h4-11,14H,3H2,1-2H3,(H,19,20,21)
InChIKey RFBJWPQZQYTGMS-UHFFFAOYSA-N
Molecular Weight 374.473 g/mol
SMILES N(C1=NC2=CC=C(S(=O)(=O)C)C=C2S1)C(C(C=1C=CC=CC1)CC)=O