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3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-, methyl ester, cis-(.+-.)-
SpectraBase Compound ID 6QXBUAjWHgs
InChI InChI=1S/C20H25NO5/c1-4-12-20(2)16(10-11-17(22)25-3)18(23)21(19(20)24)14-26-13-15-8-6-5-7-9-15/h4-9,16H,1,10-14H2,2-3H3/t16-,20-/m0/s1
InChIKey BSTKPAJFUVGCFD-JXFKEZNVSA-N
Mol Weight 359.42 g/mol
Molecular Formula C20H25NO5
Exact Mass 359.173273 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FABGY405jL7
Name 3-Pyrrolidinepropanoic acid, 4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-, methyl ester, cis-(.+-.)-
CAS Registry Number 113661-49-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H25NO5
InChI InChI=1S/C20H25NO5/c1-4-12-20(2)16(10-11-17(22)25-3)18(23)21(19(20)24)14-26-13-15-8-6-5-7-9-15/h4-9,16H,1,10-14H2,2-3H3/t16-,20-/m0/s1
InChIKey BSTKPAJFUVGCFD-JXFKEZNVSA-N
Molecular Weight 359.422 g/mol
SMILES C1(N(C([C@@]([C@@]1(CC=C)C)(CCC(=O)OC)[H])=O)COCc1ccccc1)=O
SPLASH splash10-0006-9000000000-d40ea3a6ce9c034f07a6
Source of Spectrum KC-1987-1686-40
Synonyms cis of racemic 2-allyl-N-benzyloxymethyl-3-(2-methoxycarbonylethyl-2-methylsuccinimide) methyl 3-{(3R,4S)-4-allyl-1-[(benzyloxy)methyl]-4-methyl-2,5-dioxopyrrolidinyl}propanoate
Wiley ID 1347788