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8-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-caprylamide
SpectraBase Compound ID EOtcuHpSE6P
InChI InChI=1S/C27H39NO3S/c1-3-4-19-28(2)27(31)10-8-6-5-7-9-20-32-26(23-13-17-25(30)18-14-23)21-22-11-15-24(29)16-12-22/h11-18,26,29-30H,3-10,19-21H2,1-2H3
InChIKey FJYMJRWWIFDOSN-UHFFFAOYSA-N
Mol Weight 457.7 g/mol
Molecular Formula C27H39NO3S
Exact Mass 457.265065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7JphNIYdpn
Name 8-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-caprylamide
Alternate Name(s) 8-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyloctanamide 8-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]-N-butyl-N-methyloctanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H39NO3S
InChI InChI=1S/C27H39NO3S/c1-3-4-19-28(2)27(31)10-8-6-5-7-9-20-32-26(23-13-17-25(30)18-14-23)21-22-11-15-24(29)16-12-22/h11-18,26,29-30H,3-10,19-21H2,1-2H3
InChIKey FJYMJRWWIFDOSN-UHFFFAOYSA-N
Molecular Weight 457.673 g/mol
SMILES Oc1ccc(CC(c2ccc(cc2)O)SCCCCCCCC(=O)N(CCCC)C)cc1
SPLASH splash10-03di-0390000000-357899a696725ce447df
Source of Spectrum E1-37-1123-40
Wiley ID 1575019