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cyclohexanecarboxamide, N-[1-[[(3-methoxyphenyl)amino]carbonyl]-3-(methylthio)propyl]-4-methyl-
SpectraBase Compound ID E5Wo53KuLNh
InChI InChI=1S/C20H30N2O3S/c1-14-7-9-15(10-8-14)19(23)22-18(11-12-26-3)20(24)21-16-5-4-6-17(13-16)25-2/h4-6,13-15,18H,7-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKey HNIOCRNTPNENOE-UHFFFAOYSA-N
Mol Weight 378.53 g/mol
Molecular Formula C20H30N2O3S
Exact Mass 378.197714 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tQUsZEXBWw
Name Cyclohexanecarboxamide, N-[1-[[(3-methoxyphenyl)amino]carbonyl]-3-(methylthio)propyl]-4-methyl-
Comments Computed using HOSE algorithm
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Exact Mass 378.197714005 u
Formula C20H30N2O3S
InChI InChI=1S/C20H30N2O3S/c1-14-7-9-15(10-8-14)19(23)22-18(11-12-26-3)20(24)21-16-5-4-6-17(13-16)25-2/h4-6,13-15,18H,7-12H2,1-3H3,(H,21,24)(H,22,23)
InChIKey HNIOCRNTPNENOE-UHFFFAOYSA-N
Molecular Weight 378.531 g/mol
SMILES N(C(C1CCC(CC1)C)=O)C(C(NC1=CC(OC)=CC=C1)=O)CCSC