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(2S,5R)-5-pent-4-enylpyrrolidine-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester
SpectraBase Compound ID Kokjyn0ig3W
InChI InChI=1S/C19H25NO4/c1-3-4-6-11-16-12-13-17(18(21)23-2)20(16)19(22)24-14-15-9-7-5-8-10-15/h3,5,7-10,16-17H,1,4,6,11-14H2,2H3/t16-,17+/m1/s1
InChIKey IDRYQNKKDNUYTI-SJORKVTESA-N
Mol Weight 331.41 g/mol
Molecular Formula C19H25NO4
Exact Mass 331.178358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ai4zdFDLV14
Name (2S,5R)-5-Pent-4-enylpyrrolidine-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester
Comments Computed using HOSE algorithm
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Exact Mass 331.178358285 u
Formula C19H25NO4
InChI InChI=1S/C19H25NO4/c1-3-4-6-11-16-12-13-17(18(21)23-2)20(16)19(22)24-14-15-9-7-5-8-10-15/h3,5,7-10,16-17H,1,4,6,11-14H2,2H3/t16-,17+/m1/s1
InChIKey IDRYQNKKDNUYTI-SJORKVTESA-N
Molecular Weight 331.412 g/mol
SMILES C(N1[C@](C(=O)OC)(CC[C@]1(CCCC=C)[H])[H])(OCC=1C=CC=CC1)=O