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(2R,5R)-Dimethyl-N-Cbz-2-phenylpyrrolidin-3,3-dicarboxylate-5-dimethyl malonate
SpectraBase Compound ID DIPnqlO6ksQ
InChI InChI=1S/C27H29NO10/c1-34-22(29)20(23(30)35-2)19-15-27(24(31)36-3,25(32)37-4)21(18-13-9-6-10-14-18)28(19)26(33)38-16-17-11-7-5-8-12-17/h5-14,19-21H,15-16H2,1-4H3/t19-,21-/m1/s1
InChIKey GICJZTLJISGOQH-TZIWHRDSSA-N
Mol Weight 527.53 g/mol
Molecular Formula C27H29NO10
Exact Mass 527.179146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KDWIwdev2Ja
Name (2R,5R)-Dimethyl-N-Cbz-2-phenylpyrrolidin-3,3-dicarboxylate-5-dimethyl malonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H29NO10
InChI InChI=1S/C27H29NO10/c1-34-22(29)20(23(30)35-2)19-15-27(24(31)36-3,25(32)37-4)21(18-13-9-6-10-14-18)28(19)26(33)38-16-17-11-7-5-8-12-17/h5-14,19-21H,15-16H2,1-4H3/t19-,21-/m1/s1
InChIKey GICJZTLJISGOQH-TZIWHRDSSA-N
Literature Reference DOI 10.1002/adsc.201000658
Molecular Weight 527.526 g/mol
SMILES C1(C(OC)=O)([C@](N([C@](C1)(C(C(OC)=O)C(OC)=O)[H])C(=O)OCc1ccccc1)(c1ccccc1)[H])C(OC)=O
SPLASH splash10-0006-9002000000-7147927cb6591b0599a8
Source of Spectrum ASC-352-2863/SM13-8b
Synonyms (2R,5R)-1-benzyl 3,3-dimethyl 5-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-2-phenylpyrrolidine-1,3,3-tricarboxylate
Wiley ID 1764123