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3-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-propionamide
SpectraBase Compound ID KtaujosG9M
InChI InChI=1S/C22H29NO3S/c1-3-4-14-23(2)22(26)13-15-27-21(18-7-11-20(25)12-8-18)16-17-5-9-19(24)10-6-17/h5-12,21,24-25H,3-4,13-16H2,1-2H3
InChIKey IQAXROZGKIITDK-UHFFFAOYSA-N
Mol Weight 387.54 g/mol
Molecular Formula C22H29NO3S
Exact Mass 387.186815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JBJ6PcjB6TW
Name 3-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methyl-propionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO3S
InChI InChI=1S/C22H29NO3S/c1-3-4-14-23(2)22(26)13-15-27-21(18-7-11-20(25)12-8-18)16-17-5-9-19(24)10-6-17/h5-12,21,24-25H,3-4,13-16H2,1-2H3
InChIKey IQAXROZGKIITDK-UHFFFAOYSA-N
Molecular Weight 387.538 g/mol
SMILES Oc1ccc(CC(c2ccc(cc2)O)SCCC(=O)N(CCCC)C)cc1
SPLASH splash10-03di-0590000000-f85da5a6162783aed5ae
Source of Spectrum E1-37-1124-48
Synonyms 3-[1,2-bis(4-hydroxyphenyl)ethylthio]-N-butyl-N-methylpropanamide 3-[1,2-bis(4-hydroxyphenyl)ethylsulfanyl]-N-butyl-N-methylpropanamide
Wiley ID 1575013