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4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-1,3-dioxo-6-(2-phenyl-5-thiazolyl)-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-

View entire compound with spectra: 1 MS (GC)

4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-1,3-dioxo-6-(2-phenyl-5-thiazolyl)-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-
SpectraBase Compound ID ByBPYJilLQj
InChI InChI=1S/C21H20N2O7S/c1-3-28-19(26)21(20(27)29-4-2)14-13(17(24)30-18(14)25)15(23-21)12-10-22-16(31-12)11-8-6-5-7-9-11/h5-10,13-15,23H,3-4H2,1-2H3/t13-,14-,15-/m1/s1
InChIKey AMKAHEYUGUNFPW-RBSFLKMASA-N
Mol Weight 444.46 g/mol
Molecular Formula C21H20N2O7S
Exact Mass 444.099122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KfB58gqmJzg
Name 4H-Furo[3,4-c]pyrrole-4,4-dicarboxylic acid, hexahydro-1,3-dioxo-6-(2-phenyl-5-thiazolyl)-, diethyl ester, (3a.alpha.,6.beta.,6a.alpha.)-
CAS Registry Number 125660-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O7S
InChI InChI=1S/C21H20N2O7S/c1-3-28-19(26)21(20(27)29-4-2)14-13(17(24)30-18(14)25)15(23-21)12-10-22-16(31-12)11-8-6-5-7-9-11/h5-10,13-15,23H,3-4H2,1-2H3/t13-,14-,15-/m1/s1
InChIKey AMKAHEYUGUNFPW-RBSFLKMASA-N
Molecular Weight 444.458 g/mol
SMILES N1[C@@]([C@]2([C@@](C1(C(=O)OCC)C(=O)OCC)(C(OC2=O)=O)[H])[H])(c1sc(-c2ccccc2)nc1)[H]
SPLASH splash10-00dj-0095000000-ce9e7a60fe1a3163ad25
Source of Spectrum F-45-4665-25
Synonyms Diethyl (3aS,6S,6aR)-1,3-dioxo-6-(2-phenyl-1,3-thiazol-5-yl)hexahydro-4H-furo[3,4-c]pyrrole-4,4-dicarboxylate Diethyl 4[5'-(2'-phenylthiazolyl)]-3-aza-6,8-dioxo-7-oxabicyclo[3.3.0]octane-2,2-dicarboxylate
Wiley ID 1385901