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3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylpropanamide

View entire compound with spectra: 2 NMR

3-(1,3-benzothiazol-2-ylsulfanyl)-N-cyclohexylpropanamide
SpectraBase Compound ID 6h0NWZSvzPW
InChI InChI=1S/C16H20N2OS2/c19-15(17-12-6-2-1-3-7-12)10-11-20-16-18-13-8-4-5-9-14(13)21-16/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,19)
InChIKey KHINPAJKWUCLCU-UHFFFAOYSA-N
Mol Weight 320.47 g/mol
Molecular Formula C16H20N2OS2
Exact Mass 320.101706 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9eahq20XJeX
Name 3-(1,3-Benzothiazol-2-ylsulfanyl)-N-cyclohexylpropanamide
Comments Computed using HOSE algorithm
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Exact Mass 320.101705619 u
Formula C16H20N2OS2
InChI InChI=1S/C16H20N2OS2/c19-15(17-12-6-2-1-3-7-12)10-11-20-16-18-13-8-4-5-9-14(13)21-16/h4-5,8-9,12H,1-3,6-7,10-11H2,(H,17,19)
InChIKey KHINPAJKWUCLCU-UHFFFAOYSA-N
Molecular Weight 320.469 g/mol
SMILES N(C(CCSC1=NC=2C=CC=CC2S1)=O)C1CCCCC1