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Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-(2-ethylhexyl)-

View entire compound with spectra: 1 NMR

Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-(2-ethylhexyl)-
SpectraBase Compound ID A08gFjBBCQL
InChI InChI=1S/C21H35NOS/c1-5-8-13-19(7-3)16-22(18(4)12-6-2)21(23)17-24-20-14-10-9-11-15-20/h9-11,14-15,18-19H,5-8,12-13,16-17H2,1-4H3
InChIKey KSEAUBCPKYEUIS-UHFFFAOYSA-N
Mol Weight 349.6 g/mol
Molecular Formula C21H35NOS
Exact Mass 349.243936 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CMnWMrUF2tV
Name Acetamide, 2-(phenylthio)-N-(2-pentyl)-N-(2-ethylhexyl)-
Comments Computed using HOSE algorithm
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Exact Mass 349.243935924 u
Formula C21H35NOS
InChI InChI=1S/C21H35NOS/c1-5-8-13-19(7-3)16-22(18(4)12-6-2)21(23)17-24-20-14-10-9-11-15-20/h9-11,14-15,18-19H,5-8,12-13,16-17H2,1-4H3
InChIKey KSEAUBCPKYEUIS-UHFFFAOYSA-N
Molecular Weight 349.577 g/mol
SMILES C(C(=O)N(CC(CCCC)CC)C(CCC)C)SC1=CC=CC=C1