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3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-4-(2-propenyl)-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID DwvggxibxlA
InChI InChI=1S/C12H17NO4/c1-4-7-12(2)8(5-6-9(14)17-3)10(15)13-11(12)16/h4,8H,1,5-7H2,2-3H3,(H,13,15,16)/t8-,12-/m0/s1
InChIKey ZPMUZYYTUMXWAC-UFBFGSQYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5oYgtQcsoXo
Name 3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-4-(2-propenyl)-, methyl ester, cis-(.+-.)-
CAS Registry Number 113661-44-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-4-7-12(2)8(5-6-9(14)17-3)10(15)13-11(12)16/h4,8H,1,5-7H2,2-3H3,(H,13,15,16)/t8-,12-/m0/s1
InChIKey ZPMUZYYTUMXWAC-UFBFGSQYSA-N
Molecular Weight 239.271 g/mol
SMILES N1C([C@@]([C@@](C1=O)(CC=C)C)(CCC(=O)OC)[H])=O
SPLASH splash10-0aor-0590000000-579d1ca9eec869e7e1d8
Source of Spectrum KC-1987-1685-33
Synonyms cis isomer of racemic 2-allyl-3-(2-methoxycarbonylethyl)-2-methylsuccinimide Methyl 3-[(3R,4S)-4-allyl-4-methyl-2,5-dioxopyrrolidinyl]propanoate
Wiley ID 1241839