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N-Butyl-N-methyl-14-[4'-(benzyloxy)phenyl]-13-(4'-methoxyphenyl)-12-thiatetradecanamide
SpectraBase Compound ID 48AyICE33Gk
InChI InChI=1S/C38H53NO3S/c1-4-5-28-39(2)38(40)19-15-10-8-6-7-9-11-16-29-43-37(34-22-26-35(41-3)27-23-34)30-32-20-24-36(25-21-32)42-31-33-17-13-12-14-18-33/h12-14,17-18,20-27,37H,4-11,15-16,19,28-31H2,1-3H3
InChIKey PZADLNNRBCEQQK-UHFFFAOYSA-N
Mol Weight 603.9 g/mol
Molecular Formula C38H53NO3S
Exact Mass 603.374616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3M7YaMSakE1
Name N-Butyl-N-methyl-14-[4'-(benzyloxy)phenyl]-13-(4'-methoxyphenyl)-12-thiatetradecanamide
Alternate Name(s) 11-[[2-(4-benzoxyphenyl)-1-(4-methoxyphenyl)ethyl]thio]-N-butyl-N-methyl-undecanamide 11-{[2-[4-(benzyloxy)phenyl]-1-(4-methoxyphenyl)ethyl]sulfanyl}-N-butyl-N-methylundecanamide N-butyl-11-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methyl-undecanamide N-butyl-11-[[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]thio]-N-methylundecanamide N-butyl-11-[1-(4-methoxyphenyl)-2-(4-phenylmethoxyphenyl)ethyl]sulfanyl-N-methylundecanamide
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Formula C38H53NO3S
InChI InChI=1S/C38H53NO3S/c1-4-5-28-39(2)38(40)19-15-10-8-6-7-9-11-16-29-43-37(34-22-26-35(41-3)27-23-34)30-32-20-24-36(25-21-32)42-31-33-17-13-12-14-18-33/h12-14,17-18,20-27,37H,4-11,15-16,19,28-31H2,1-3H3
InChIKey PZADLNNRBCEQQK-UHFFFAOYSA-N
Molecular Weight 603.906 g/mol
SMILES C(CCCCCCCCCCSC(Cc1ccc(cc1)OCc1ccccc1)c1ccc(cc1)OC)(=O)N(C)CCCC
SPLASH splash10-0adl-8462900000-694a9ad72781572623c3
Source of Spectrum E1-37-1122-31
Wiley ID 1575028