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Acetamide, 2-phenylthio-N-propyl-N-tetradecyl-
SpectraBase Compound ID InqZbFwlkZi
InChI InChI=1S/C25H43NOS/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-26(21-4-2)25(27)23-28-24-19-16-15-17-20-24/h15-17,19-20H,3-14,18,21-23H2,1-2H3
InChIKey HMQMRGTUFJMHKS-UHFFFAOYSA-N
Mol Weight 405.7 g/mol
Molecular Formula C25H43NOS
Exact Mass 405.306536 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E28kN08KuJ1
Name Acetamide, 2-phenylthio-N-propyl-N-tetradecyl-
Comments Computed using HOSE algorithm
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Exact Mass 405.306536182 u
Formula C25H43NOS
InChI InChI=1S/C25H43NOS/c1-3-5-6-7-8-9-10-11-12-13-14-18-22-26(21-4-2)25(27)23-28-24-19-16-15-17-20-24/h15-17,19-20H,3-14,18,21-23H2,1-2H3
InChIKey HMQMRGTUFJMHKS-UHFFFAOYSA-N
Molecular Weight 405.685 g/mol
SMILES C(C(N(CCCCCCCCCCCCCC)CCC)=O)SC1=CC=CC=C1