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2,3,4,5-Pyrrolidinetetracarboxylic acid, 2-phenyl-, 3,4-dimethyl ester, (2.alpha.,3.alpha.,4.beta.,5.alpha.)-
SpectraBase Compound ID 9wTET7NWPx1
InChI InChI=1S/C16H17NO8/c1-24-13(20)9-10(14(21)25-2)16(15(22)23,17-11(9)12(18)19)8-6-4-3-5-7-8/h3-7,9-11,17H,1-2H3,(H,18,19)(H,22,23)/t9-,10+,11-,16+/m1/s1
InChIKey FZOLLNJNPJOCDW-IDYSPNNHSA-N
Mol Weight 351.31 g/mol
Molecular Formula C16H17NO8
Exact Mass 351.095417 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2dy31VHtKD
Name 2,3,4,5-Pyrrolidinetetracarboxylic acid, 2-phenyl-, 3,4-dimethyl ester, (2.alpha.,3.alpha.,4.beta.,5.alpha.)-
CAS Registry Number 105591-29-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NO8
InChI InChI=1S/C16H17NO8/c1-24-13(20)9-10(14(21)25-2)16(15(22)23,17-11(9)12(18)19)8-6-4-3-5-7-8/h3-7,9-11,17H,1-2H3,(H,18,19)(H,22,23)/t9-,10+,11-,16+/m1/s1
InChIKey FZOLLNJNPJOCDW-IDYSPNNHSA-N
Molecular Weight 351.311 g/mol
SMILES N1[C@]([C@@]([C@]([C@]1(C(=O)O)c1ccccc1)(C(=O)OC)[H])(C(=O)OC)[H])(C(=O)O)[H]
SPLASH splash10-0016-9600000000-d4dd9aeb31d1ad6be122
Source of Spectrum KC-1986-1673-0
Synonyms (2R,3R,4R,5R)-3,4-bis(methoxycarbonyl)-2-phenyl-2,5-pyrrolidinedicarboxylic acid 3,4-bis(methoxycarbonyl)-2-phenylpyrrolidine-2,5-dicarboxylic acid
Wiley ID 1342486