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(3RS,4RS)-N-[3-Hydroxy-6-methyl-4-(phenylthio)hepyl]tosylamide
SpectraBase Compound ID yV7Zd1rg9I
InChI InChI=1S/C21H29NO3S2/c1-16(2)15-21(26-18-7-5-4-6-8-18)20(23)13-14-22-27(24,25)19-11-9-17(3)10-12-19/h4-12,16,20-23H,13-15H2,1-3H3
InChIKey ABFVOQIPDGNQMN-UHFFFAOYSA-N
Mol Weight 407.59 g/mol
Molecular Formula C21H29NO3S2
Exact Mass 407.158886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jzEP4RvaS
Name (3RS,4RS)-N-[3-Hydroxy-6-methyl-4-(phenylthio)hepyl]tosylamide
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Formula C21H29NO3S2
InChI InChI=1S/C21H29NO3S2/c1-16(2)15-21(26-18-7-5-4-6-8-18)20(23)13-14-22-27(24,25)19-11-9-17(3)10-12-19/h4-12,16,20-23H,13-15H2,1-3H3
InChIKey ABFVOQIPDGNQMN-UHFFFAOYSA-N
Molecular Weight 407.587 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CCC(C(Sc1ccccc1)CC(C)C)O
SPLASH splash10-001i-1910000000-ee9fd222875840755c04
Source of Spectrum KC-1993-1652-52
Synonyms (3RS,4RS)-N-[3-Hydroxy-6-methyl-4-(phenylthio)heptyl]tosylamide N-[3-hydroxy-6-methyl-4-(phenylsulfanyl)heptyl]-4-methylbenzenesulfonamide
Wiley ID 778301