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Acetamide, 2-(2-thiophenyl)-N-(2-pentyl)-N-hexadecyl-
SpectraBase Compound ID 78ae6J3O9xs
InChI InChI=1S/C27H49NOS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28(25(3)20-5-2)27(29)24-26-21-19-23-30-26/h19,21,23,25H,4-18,20,22,24H2,1-3H3
InChIKey KYIGBLKNRGSIBZ-UHFFFAOYSA-N
Mol Weight 435.8 g/mol
Molecular Formula C27H49NOS
Exact Mass 435.353486 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6T92BypFZkb
Name Acetamide, 2-(2-thiophenyl)-N-(2-pentyl)-N-hexadecyl-
Comments Computed using HOSE algorithm
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Exact Mass 435.353486375 u
Formula C27H49NOS
InChI InChI=1S/C27H49NOS/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28(25(3)20-5-2)27(29)24-26-21-19-23-30-26/h19,21,23,25H,4-18,20,22,24H2,1-3H3
InChIKey KYIGBLKNRGSIBZ-UHFFFAOYSA-N
Molecular Weight 435.755 g/mol
SMILES C(N(C(CCC)C)C(=O)CC=1SC=CC1)CCCCCCCCCCCCCCC