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Propanedioic acid, [[4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-3-pyrrolidinylidene]methyl]-, 1,1-dimethylethyl methyl ester
SpectraBase Compound ID 631d8L8SdkE
InChI InChI=1S/C25H31NO7/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/h7-12,14,18H,1,13,15-16H2,2-6H3/b19-14+
InChIKey YWBXHPNHCUTUIY-XMHGGMMESA-N
Mol Weight 457.52 g/mol
Molecular Formula C25H31NO7
Exact Mass 457.210052 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Nf8oibFApW
Name Propanedioic acid, [[4-methyl-2,5-dioxo-1-[(phenylmethoxy)methyl]-4-(2-propenyl)-3-pyrrolidinylidene]methyl]-, 1,1-dimethylethyl methyl ester
Alternate Name(s) 1-tert-Butyl 3-methyl 2-((Z)-{4-allyl-1-[(benzyloxy)methyl]-4-methyl-2,5-dioxo-3-pyrrolidinylidene}methyl)malonate cis and trans isomers of racemic 2-allyl-N-benzyloxymethyl-3-(2-methoxycarbonyl-2-t-butoxycarbonylethylidene)-2-methylsuccinimide
CAS Registry Number 113661-24-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31NO7
InChI InChI=1S/C25H31NO7/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/h7-12,14,18H,1,13,15-16H2,2-6H3/b19-14+
InChIKey YWBXHPNHCUTUIY-XMHGGMMESA-N
Molecular Weight 457.523 g/mol
SMILES C1(N(C(C(\C1=C/C(C(OC(C)(C)C)=O)C(=O)OC)(CC=C)C)=O)COCc1ccccc1)=O
SPLASH splash10-0007-9040000000-ae8d2780631e6cee4b19
Source of Spectrum KC-1987-1685-37
Wiley ID 1389636