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3'-Methyl-2'-(tosylamino)butyl (2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
SpectraBase Compound ID 8vZKMusdEfl
InChI InChI=1S/C24H31NO5S/c1-17(2)22(25-31(28,29)21-13-10-18(3)11-14-21)16-30-24(27)19(4)23(26)15-12-20-8-6-5-7-9-20/h5-15,17,19,22-23,25-26H,16H2,1-4H3/b15-12+/t19-,22?,23+/m1/s1
InChIKey IKBZXKWTFDNUAL-DHPUETFTSA-N
Mol Weight 445.57 g/mol
Molecular Formula C24H31NO5S
Exact Mass 445.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rnDIIYBsWI
Name 3'-Methyl-2'-(tosylamino)butyl (2R,3S)-3-hydroxy-2-methyl-5-phenylpent-4-enoate
Alternate Name(s) 3'-Methyl-2'-(tosylamino)butyl 3-hydroxy-2-methyl-5-phenylpent-4-enoate 3-Methyl-2-{[(4-methylphenyl)sulfonyl]amino}butyl (2R,3S,4E)-3-hydroxy-2-methyl-5-phenyl-4-pentenoate
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Formula C24H31NO5S
InChI InChI=1S/C24H31NO5S/c1-17(2)22(25-31(28,29)21-13-10-18(3)11-14-21)16-30-24(27)19(4)23(26)15-12-20-8-6-5-7-9-20/h5-15,17,19,22-23,25-26H,16H2,1-4H3/b15-12+/t19-,22?,23+/m1/s1
InChIKey IKBZXKWTFDNUAL-DHPUETFTSA-N
Molecular Weight 445.574 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)C(COC([C@@]([C@](\C=C\c1ccccc1)(O)[H])(C)[H])=O)C(C)C
SPLASH splash10-06u6-2930000000-1c0606eacb4d8d360a17
Source of Spectrum Y2-70-1703-14
Wiley ID 1587491