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6-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-hexanamide
SpectraBase Compound ID FaT04ACA6PB
InChI InChI=1S/C25H35NO3S/c1-3-4-17-26(2)25(29)8-6-5-7-18-30-24(21-11-15-23(28)16-12-21)19-20-9-13-22(27)14-10-20/h9-16,24,27-28H,3-8,17-19H2,1-2H3
InChIKey IWNRXDASBQTUKA-UHFFFAOYSA-N
Mol Weight 429.6 g/mol
Molecular Formula C25H35NO3S
Exact Mass 429.233765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1c38MaDXSvX
Name 6-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-hexanamide
Alternate Name(s) 6-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methylhexanamide 6-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]-N-butyl-N-methylhexanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35NO3S
InChI InChI=1S/C25H35NO3S/c1-3-4-17-26(2)25(29)8-6-5-7-18-30-24(21-11-15-23(28)16-12-21)19-20-9-13-22(27)14-10-20/h9-16,24,27-28H,3-8,17-19H2,1-2H3
InChIKey IWNRXDASBQTUKA-UHFFFAOYSA-N
Molecular Weight 429.619 g/mol
SMILES Oc1ccc(CC(c2ccc(cc2)O)SCCCCCC(=O)N(CCCC)C)cc1
SPLASH splash10-03di-0690000000-ab0d995ac31c2e70db04
Source of Spectrum E1-37-1123-39
Wiley ID 1575020