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(2S,5S)-2-phenyl-5-[(phenylmethylthio)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
SpectraBase Compound ID L0ySBLOooqN
InChI InChI=1S/C24H25NO6S/c1-29-21(26)18-19(22(27)30-2)24(23(28)31-3,15-32-14-16-10-6-4-7-11-16)25-20(18)17-12-8-5-9-13-17/h4-13,20,25H,14-15H2,1-3H3/t20-,24-/m0/s1
InChIKey CMKGJIIHQLPVNT-RDPSFJRHSA-N
Mol Weight 455.53 g/mol
Molecular Formula C24H25NO6S
Exact Mass 455.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9avvd5MPN4
Name (2S,5S)-2-phenyl-5-[(phenylmethylthio)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylic acid trimethyl ester
CAS Registry Number 131786-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25NO6S
InChI InChI=1S/C24H25NO6S/c1-29-21(26)18-19(22(27)30-2)24(23(28)31-3,15-32-14-16-10-6-4-7-11-16)25-20(18)17-12-8-5-9-13-17/h4-13,20,25H,14-15H2,1-3H3/t20-,24-/m0/s1
InChIKey CMKGJIIHQLPVNT-RDPSFJRHSA-N
Molecular Weight 455.525 g/mol
SMILES N1[C@](C(=C([C@]1(C(=O)OC)CSCc1ccccc1)C(=O)OC)C(=O)OC)(c1ccccc1)[H]
SPLASH splash10-01bl-0093000000-6ae54b4684393ede130c
Source of Spectrum F-46-6477-7
Synonyms (2S,5S)-2-[(benzylthio)methyl]-5-phenyl-3-pyrroline-2,3,4-tricarboxylic acid trimethyl ester Trimethyl (2S,5S)-2-phenyl-5-[(phenylmethylsulfanyl)methyl]-1,2-dihydropyrrole-3,4,5-tricarboxylate Trimethyl (2S,5S)-5-(benzylsulfanylmethyl)-2-phenyl-1,2-dihydropyrrole-3,4,5-tricarboxylate
Wiley ID 1389028