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3-Pyrrolidinepropanoic acid, 1-(hydroxymethyl)-4-methyl-2,5-dioxo-4-(2-propenyl)-, methyl ester, trans-(.+-.)-
SpectraBase Compound ID Iej2ucKxUHe
InChI InChI=1S/C13H19NO5/c1-4-7-13(2)9(5-6-10(16)19-3)11(17)14(8-15)12(13)18/h4,9,15H,1,5-8H2,2-3H3/t9-,13+/m0/s1
InChIKey IIUICRIKHZMCJP-TVQRCGJNSA-N
Mol Weight 269.3 g/mol
Molecular Formula C13H19NO5
Exact Mass 269.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pPkMMyJKfv
Name 3-Pyrrolidinepropanoic acid, 1-(hydroxymethyl)-4-methyl-2,5-dioxo-4-(2-propenyl)-, methyl ester, trans-(.+-.)-
CAS Registry Number 113661-50-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H19NO5
InChI InChI=1S/C13H19NO5/c1-4-7-13(2)9(5-6-10(16)19-3)11(17)14(8-15)12(13)18/h4,9,15H,1,5-8H2,2-3H3/t9-,13+/m0/s1
InChIKey IIUICRIKHZMCJP-TVQRCGJNSA-N
Molecular Weight 269.297 g/mol
SMILES OCN1C([C@@](CC=C)(C)[C@](C1=O)(CCC(=O)OC)[H])=O
SPLASH splash10-0a4r-0090000000-fcd3da406275305f3241
Source of Spectrum KC-1987-1686-41
Synonyms Methyl 3-[(3R,4R)-4-allyl-1-(hydroxymethyl)-4-methyl-2,5-dioxopyrrolidinyl]propanoate racemic trans-2-allyl-N-hydroxymethyl-3-(2-methoxycarbonylethyl)-2-methylsuccinimide
Wiley ID 1273091