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4-Phenyl-3-{[20-hydroxytritriacont-19-yl]carbonyl}thiazolidine-2-thione
SpectraBase Compound ID 7qaUzAUzcnI
InChI InChI=1S/C43H75NO2S2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-31-35-39(41(45)36-32-27-25-23-20-14-12-10-8-6-4-2)42(46)44-40(37-48-43(44)47)38-33-29-28-30-34-38/h28-30,33-34,39-41,45H,3-27,31-32,35-37H2,1-2H3
InChIKey XQKAPFALCGXODJ-UHFFFAOYSA-N
Mol Weight 702.2 g/mol
Molecular Formula C43H75NO2S2
Exact Mass 701.523923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7YdGldcYziu
Name 4-Phenyl-3-{[20-hydroxytritriacont-19-yl]carbonyl}thiazolidine-2-thione
Alternate Name(s) 3-[2-(1-hydroxytetradecyl)icosanoyl]-4-phenyl-1,3-thiazolidine-2-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C43H75NO2S2
InChI InChI=1S/C43H75NO2S2/c1-3-5-7-9-11-13-15-16-17-18-19-21-22-24-26-31-35-39(41(45)36-32-27-25-23-20-14-12-10-8-6-4-2)42(46)44-40(37-48-43(44)47)38-33-29-28-30-34-38/h28-30,33-34,39-41,45H,3-27,31-32,35-37H2,1-2H3
InChIKey XQKAPFALCGXODJ-UHFFFAOYSA-N
Molecular Weight 702.198 g/mol
SMILES OC(C(C(N1C(SCC1c1ccccc1)=S)=O)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
SPLASH splash10-000b-0900000000-8b424bce6a3d169a01a2
Source of Spectrum F-69-6144-13
Wiley ID 1595587