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1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-1,3-dioxo-6-phenyl-4-[[(phenylmethyl)thio]methyl]-, methyl ester, (3a.alpha.,4.alpha.,6.beta.,6a.alpha.)-(.+-.)-
SpectraBase Compound ID 3ENamDEg5bQ
InChI InChI=1S/C22H21NO5S/c1-27-21(26)22(13-29-12-14-8-4-2-5-9-14)17-16(19(24)28-20(17)25)18(23-22)15-10-6-3-7-11-15/h2-11,16-18,23H,12-13H2,1H3/t16-,17-,18-,22+/m1/s1
InChIKey YTLBEJXIRXWUFQ-IDVKNYFZSA-N
Mol Weight 411.47 g/mol
Molecular Formula C22H21NO5S
Exact Mass 411.114044 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8sIEQooAEG
Name 1H-Furo[3,4-c]pyrrole-4-carboxylic acid, hexahydro-1,3-dioxo-6-phenyl-4-[[(phenylmethyl)thio]methyl]-, methyl ester, (3a.alpha.,4.alpha.,6.beta.,6a.alpha.)-(.+-.)-
CAS Registry Number 113430-21-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO5S
InChI InChI=1S/C22H21NO5S/c1-27-21(26)22(13-29-12-14-8-4-2-5-9-14)17-16(19(24)28-20(17)25)18(23-22)15-10-6-3-7-11-15/h2-11,16-18,23H,12-13H2,1H3/t16-,17-,18-,22+/m1/s1
InChIKey YTLBEJXIRXWUFQ-IDVKNYFZSA-N
Molecular Weight 411.472 g/mol
SMILES N1[C@@]([C@]2([C@@]([C@]1(C(=O)OC)CSCc1ccccc1)(C(OC2=O)=O)[H])[H])(c1ccccc1)[H]
SPLASH splash10-00di-0090000000-194b2472aebb1e31dcb4
Source of Spectrum KC-1987-2293-16
Synonyms Methyl (3aS,4S,6S,6aR)-4-[(benzylsulfanyl)methyl]-1,3-dioxo-6-phenylhexahydro-1H-furo[3,4-c]pyrrole-4-carboxylate Methyl 2-benzylthiomethyl-6,8-dioxo-7-oxa-3-azabicyclo[3.3.0]octane-2-carboxylate
Wiley ID 1374072