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Thiophene-2-acetamide, N-(2-phenylethyl)-N-octyl-
SpectraBase Compound ID EWg2uwz3dkP
InChI InChI=1S/C22H31NOS/c1-2-3-4-5-6-10-16-23(17-15-20-12-8-7-9-13-20)22(24)19-21-14-11-18-25-21/h7-9,11-14,18H,2-6,10,15-17,19H2,1H3
InChIKey OTJARQCVHAMLJD-UHFFFAOYSA-N
Mol Weight 357.56 g/mol
Molecular Formula C22H31NOS
Exact Mass 357.212636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9yX9ML7FUur
Name Thiophene-2-acetamide, N-(2-phenylethyl)-N-octyl-
Comments Computed using HOSE algorithm
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Exact Mass 357.212635795 u
Formula C22H31NOS
InChI InChI=1S/C22H31NOS/c1-2-3-4-5-6-10-16-23(17-15-20-12-8-7-9-13-20)22(24)19-21-14-11-18-25-21/h7-9,11-14,18H,2-6,10,15-17,19H2,1H3
InChIKey OTJARQCVHAMLJD-UHFFFAOYSA-N
Molecular Weight 357.556 g/mol
SMILES C1=CC=C(C=C1)CCN(C(CC=1SC=CC1)=O)CCCCCCCC