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1,2-Pyrrolidinedicarboxylic acid, 4-(carboxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-cis)-
SpectraBase Compound ID 69POFqa9lay
InChI InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-8(6-10(15)16)5-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey HJPMYHJAWNMUMA-BDAKNGLRSA-N
Mol Weight 287.31 g/mol
Molecular Formula C13H21NO6
Exact Mass 287.136887 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX5izVzfVxl
Name 1,2-Pyrrolidinedicarboxylic acid, 4-(carboxymethyl)-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-cis)-
CAS Registry Number 115545-78-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H21NO6
InChI InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-7-8(6-10(15)16)5-9(14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey HJPMYHJAWNMUMA-BDAKNGLRSA-N
Molecular Weight 287.312 g/mol
SMILES OC(C[C@@]1(CN(C(OC(C)(C)C)=O)[C@](C(=O)OC)(C1)[H])[H])=O
SPLASH splash10-00bl-3920000000-7b628081fffb3001362c
Source of Spectrum J-54-112-8
Synonyms 2-Methyl 1-(tert-butyl) (2S-cis)-4-(2-hydroxy-2-oxoethyl)-1,2-pyrrolidinedicarboxylate [(3R,5S)-1-(tert-butoxycarbonyl)-5-(methoxycarbonyl)pyrrolidinyl]acetic acid 2-[(3R,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]acetic acid 2-[(3R,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid 2-[(3R,5S)-1-tert-butoxycarbonyl-5-methoxycarbonyl-pyrrolidin-3-yl]acetic acid 2-[(3R,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]ethanoic acid
Wiley ID 1290673