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(Phenylthio) acetamide, N-(2-phenylethyl)-N-decyl-
SpectraBase Compound ID FKyqydPbMY2
InChI InChI=1S/C26H37NOS/c1-2-3-4-5-6-7-8-15-21-27(22-20-24-16-11-9-12-17-24)26(28)23-29-25-18-13-10-14-19-25/h9-14,16-19H,2-8,15,20-23H2,1H3
InChIKey FIWRVNBXXPUTEK-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 34bEeDK3j7W
Name (Phenylthio) acetamide, N-(2-phenylethyl)-N-decyl-
Comments Computed using HOSE algorithm
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Exact Mass 411.259585988 u
Formula C26H37NOS
InChI InChI=1S/C26H37NOS/c1-2-3-4-5-6-7-8-15-21-27(22-20-24-16-11-9-12-17-24)26(28)23-29-25-18-13-10-14-19-25/h9-14,16-19H,2-8,15,20-23H2,1H3
InChIKey FIWRVNBXXPUTEK-UHFFFAOYSA-N
Molecular Weight 411.648 g/mol
SMILES C1=CC=C(C=C1)SCC(N(CCCCCCCCCC)CCC1=CC=CC=C1)=O