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Acetamide, 2-phenylthio-N-benzyl-N-undecyl-

View entire compound with spectra: 1 NMR

Acetamide, 2-phenylthio-N-benzyl-N-undecyl-
SpectraBase Compound ID 3qX15Eo4oZn
InChI InChI=1S/C26H37NOS/c1-2-3-4-5-6-7-8-9-16-21-27(22-24-17-12-10-13-18-24)26(28)23-29-25-19-14-11-15-20-25/h10-15,17-20H,2-9,16,21-23H2,1H3
InChIKey KDQPIGFGVLGUTI-UHFFFAOYSA-N
Mol Weight 411.6 g/mol
Molecular Formula C26H37NOS
Exact Mass 411.259586 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 47C6qRpO52i
Name Acetamide, 2-phenylthio-N-benzyl-N-undecyl-
Comments Computed using HOSE algorithm
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Exact Mass 411.259585988 u
Formula C26H37NOS
InChI InChI=1S/C26H37NOS/c1-2-3-4-5-6-7-8-9-16-21-27(22-24-17-12-10-13-18-24)26(28)23-29-25-19-14-11-15-20-25/h10-15,17-20H,2-9,16,21-23H2,1H3
InChIKey KDQPIGFGVLGUTI-UHFFFAOYSA-N
Molecular Weight 411.648 g/mol
SMILES C(N(CCCCCCCCCCC)CC1=CC=CC=C1)(=O)CSC1=CC=CC=C1