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(3R,4E)-9-tert-Butoxycarbonyl-5-cyano-8-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-3,7-dimethyl-2,3-dihydrodipyrrin-1(10)-one
SpectraBase Compound ID G7TGIhYoFjW
InChI InChI=1S/C24H31N3O7/c1-13-14(8-9-17(29)32-6)20(22(31)34-23(2,3)4)27-19(13)15(12-25)21-24(5,10-16(28)26-21)11-18(30)33-7/h27H,8-11H2,1-7H3,(H,26,28)/b21-15+/t24-/m1/s1
InChIKey PGSDHSFUFNLBSZ-INJUALFYSA-N
Mol Weight 473.53 g/mol
Molecular Formula C24H31N3O7
Exact Mass 473.2162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3iz0PShod0R
Name (3R,4E)-9-tert-Butoxycarbonyl-5-cyano-8-(2-methoxycarbonylethyl)-3-methoxycarbonylmethyl-3,7-dimethyl-2,3-dihydrodipyrrin-1(10)-one
Alternate Name(s) tert-Butyl 5-{(Z)-cyano[(3R)-3-(2-methoxy-2-oxoethyl)-3-methyl-5-oxopyrrolidinylidene]methyl}-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31N3O7
InChI InChI=1S/C24H31N3O7/c1-13-14(8-9-17(29)32-6)20(22(31)34-23(2,3)4)27-19(13)15(12-25)21-24(5,10-16(28)26-21)11-18(30)33-7/h27H,8-11H2,1-7H3,(H,26,28)/b21-15+/t24-/m1/s1
InChIKey PGSDHSFUFNLBSZ-INJUALFYSA-N
Molecular Weight 473.526 g/mol
SMILES N1C(C[C@@](\C1=C\(c1c(c(c([nH]1)C(OC(C)(C)C)=O)CCC(=O)OC)C)C#N)(CC(=O)OC)C)=O
SPLASH splash10-066r-0004900000-5d4db56771b36f22b9c4
Source of Spectrum KC-0-2105-28
Wiley ID 822965