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8-[1,2-bis(4-methoxyphenyl)ethylthio]-N-butyl-N-methyl-caprylamide

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-[1,2-bis(4-methoxyphenyl)ethylthio]-N-butyl-N-methyl-caprylamide
SpectraBase Compound ID B5Vfzy7uiN5
InChI InChI=1S/C29H43NO3S/c1-5-6-21-30(2)29(31)12-10-8-7-9-11-22-34-28(25-15-19-27(33-4)20-16-25)23-24-13-17-26(32-3)18-14-24/h13-20,28H,5-12,21-23H2,1-4H3
InChIKey UUFVXGWFKPXCOY-UHFFFAOYSA-N
Mol Weight 485.7 g/mol
Molecular Formula C29H43NO3S
Exact Mass 485.296365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LOwFhTJcpJE
Name 8-[1,2-bis(4-Methoxyphenyl)ethylthio]-N-butyl-N-methyl-caprylamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 485.296365420 u
Formula C29H43NO3S
InChI InChI=1S/C29H43NO3S/c1-5-6-21-30(2)29(31)12-10-8-7-9-11-22-34-28(25-15-19-27(33-4)20-16-25)23-24-13-17-26(32-3)18-14-24/h13-20,28H,5-12,21-23H2,1-4H3
InChIKey UUFVXGWFKPXCOY-UHFFFAOYSA-N
Molecular Weight 485.727 g/mol
SMILES C(CCCCCCCSC(CC=1C=CC(=CC1)OC)C=1C=CC(=CC1)OC)(=O)N(C)CCCC