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(3S,4S)-N-[3-Hydroxy-6-methyl-4-(phenylthio)hepyl]tosylamide
SpectraBase Compound ID H6N23iMsGMU
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/t20-,21-/m0/s1
InChIKey ABFVOQIPDGNQMN-SFTDATJTSA-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 4hDrN42MrP3
Name (3S,4S)-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/t20-,21-/m0/s1
InChIKey ABFVOQIPDGNQMN-SFTDATJTSA-N
Molecular Weight 407.587 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)CC[C@@]([C@@](Sc1ccccc1)(CC(C)C)[H])(O)[H]
SPLASH splash10-071l-2910000000-f4c335cc727f3cf9257a
Source of Spectrum KC-1993-1652-52
Synonyms (3RS,4SR)-N-[3-Hydroxy-6-methyl-4-(phenylthio)heptyl]tosylamide (3RS,4SR)-N-[3-Hydroxy-6-methyl-4-(phenylthio)hepyl]tosylamide (3S,4S)-N-[3-Hydroxy-6-methyl-4-(phenylthio)heptyl]tosylamide N-[(3S,4S)-3-hydroxy-6-methyl-4-(phenylsulfanyl)heptyl]-4-methylbenzenesulfonamide
Wiley ID 778302