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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-(2-methoxy-2-oxoethyl)-, methyl ester

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1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-(2-methoxy-2-oxoethyl)-, methyl ester
SpectraBase Compound ID LN5Hl99H8b7
InChI InChI=1S/C24H36N2O9/c1-14(27)13-24(5,6)18(26(31)32)12-17-16(11-20(29)34-8)15(9-10-19(28)33-7)21(25-17)22(30)35-23(2,3)4/h18,25H,9-13H2,1-8H3
InChIKey UZXHHNYRRSLAPU-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C24H36N2O9
Exact Mass 496.242081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzISu3CJ62I
Name 1H-Pyrrole-3-propanoic acid, 2-[(1,1-dimethylethoxy)carbonyl]-5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-(2-methoxy-2-oxoethyl)-, methyl ester
Alternate Name(s) t-Butyl 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-3-(2-methoxycarbonylethyl)-4-methoxycarbonylmethylpyrrole-2-carboxylate tert-Butyl 5-(3,3-dimethyl-2-nitro-5-oxohexyl)-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 113661-79-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36N2O9
InChI InChI=1S/C24H36N2O9/c1-14(27)13-24(5,6)18(26(31)32)12-17-16(11-20(29)34-8)15(9-10-19(28)33-7)21(25-17)22(30)35-23(2,3)4/h18,25H,9-13H2,1-8H3
InChIKey UZXHHNYRRSLAPU-UHFFFAOYSA-N
Molecular Weight 496.557 g/mol
SMILES [nH]1c(c(c(c1CC(N(=O)=O)C(CC(=O)C)(C)C)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-000l-0009200000-7772f256524807fe797a
Source of Spectrum KC-1987-1677-51
Wiley ID 1398198