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Propanedioic acid, [[4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl methyl ester
SpectraBase Compound ID EAi8xI6aL0a
InChI InChI=1S/C25H33NO7/c1-7-13-25(5)19(14-18(21(28)31-6)22(29)33-24(2,3)4)20(27)26(23(25)30)16-32-15-17-11-9-8-10-12-17/h7-12,18-19H,1,13-16H2,2-6H3
InChIKey VSOQJFVIULXQHL-UHFFFAOYSA-N
Mol Weight 459.5 g/mol
Molecular Formula C25H33NO7
Exact Mass 459.225702 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQBAAHFIbmC
Name Propanedioic acid, [[4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl methyl ester
Alternate Name(s) 1-tert-Butyl 3-methyl 2-({4-allyl-1-[(benzyloxy)methyl]-4-methyl-2,5-dioxo-3-pyrrolidinyl}methyl)malonate cis and trans isomers of racemic 2-allyl-N-benzyloxymethyl-3-(2-methoxycarbonyl-2-t-butoxycarbonylethyl)-2-methylsuccinimide
CAS Registry Number 113661-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33NO7
InChI InChI=1S/C25H33NO7/c1-7-13-25(5)19(14-18(21(28)31-6)22(29)33-24(2,3)4)20(27)26(23(25)30)16-32-15-17-11-9-8-10-12-17/h7-12,18-19H,1,13-16H2,2-6H3
InChIKey VSOQJFVIULXQHL-UHFFFAOYSA-N
Molecular Weight 459.539 g/mol
SMILES C1(N(C(C(C1(CC=C)C)CC(C(OC(C)(C)C)=O)C(=O)OC)=O)COCc1ccccc1)=O
SPLASH splash10-0007-9040100000-37e9e93d1ba8b735399a
Source of Spectrum KC-1987-1685-38
Wiley ID 1390223