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8-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-butyl-N-methyl-caprylamide
SpectraBase Compound ID 4aqEoDNPyRP
InChI InChI=1S/C35H47NO3S/c1-4-5-25-36(2)35(37)16-12-7-6-8-13-26-40-34(31-19-23-32(38-3)24-20-31)27-29-17-21-33(22-18-29)39-28-30-14-10-9-11-15-30/h9-11,14-15,17-24,34H,4-8,12-13,16,25-28H2,1-3H3
InChIKey JXQRWWZHSFLZRU-UHFFFAOYSA-N
Mol Weight 561.8 g/mol
Molecular Formula C35H47NO3S
Exact Mass 561.327666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxMvk6ZF6H7
Name 8-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-butyl-N-methyl-caprylamide
Alternate Name(s) N-butyl-8-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methyl-octanamide N-butyl-8-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]-N-methyloctanamide N-butyl-8-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methyloctanamide
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Formula C35H47NO3S
InChI InChI=1S/C35H47NO3S/c1-4-5-25-36(2)35(37)16-12-7-6-8-13-26-40-34(31-19-23-32(38-3)24-20-31)27-29-17-21-33(22-18-29)39-28-30-14-10-9-11-15-30/h9-11,14-15,17-24,34H,4-8,12-13,16,25-28H2,1-3H3
InChIKey JXQRWWZHSFLZRU-UHFFFAOYSA-N
Molecular Weight 561.825 g/mol
SMILES C(N(CCCC)C)(=O)CCCCCCCSC(c1ccc(cc1)OC)Cc1ccc(OCc2ccccc2)cc1
SPLASH splash10-016u-7389000000-787800e38fcaa48e0100
Source of Spectrum E1-37-1122-30
Wiley ID 1575029