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Acetamide, 2-phenylthio-N-benzyl-N-dodecyl-

View entire compound with spectra: 1 NMR

Acetamide, 2-phenylthio-N-benzyl-N-dodecyl-
SpectraBase Compound ID 3yzaLOKa5e2
InChI InChI=1S/C27H39NOS/c1-2-3-4-5-6-7-8-9-10-17-22-28(23-25-18-13-11-14-19-25)27(29)24-30-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKey VMESNLGSQWAPBV-UHFFFAOYSA-N
Mol Weight 425.7 g/mol
Molecular Formula C27H39NOS
Exact Mass 425.275236 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hk1sWFIty8n
Name Acetamide, 2-phenylthio-N-benzyl-N-dodecyl-
Comments Computed using HOSE algorithm
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Exact Mass 425.275236053 u
Formula C27H39NOS
InChI InChI=1S/C27H39NOS/c1-2-3-4-5-6-7-8-9-10-17-22-28(23-25-18-13-11-14-19-25)27(29)24-30-26-20-15-12-16-21-26/h11-16,18-21H,2-10,17,22-24H2,1H3
InChIKey VMESNLGSQWAPBV-UHFFFAOYSA-N
Molecular Weight 425.675 g/mol
SMILES C(N(CCCCCCCCCCCC)CC1=CC=CC=C1)(=O)CSC1=CC=CC=C1