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5-[(3,3-dimethyl-5-oxo-2-pyrrolidinyl)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
SpectraBase Compound ID JGILosdKVlz
InChI InChI=1S/C23H34N2O7/c1-22(2,3)32-21(29)20-13(8-9-18(27)30-6)14(10-19(28)31-7)15(24-20)11-16-23(4,5)12-17(26)25-16/h16,24H,8-12H2,1-7H3,(H,25,26)
InChIKey HZQOZWMOXQMJEB-UHFFFAOYSA-N
Mol Weight 450.5 g/mol
Molecular Formula C23H34N2O7
Exact Mass 450.236601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AoHE9qHA228
Name 5-[(3,3-dimethyl-5-oxo-2-pyrrolidinyl)methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester
Alternate Name(s) 5-[(5-keto-3,3-dimethyl-pyrrolidin-2-yl)methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid tert-butyl ester tert-Butyl 5-[(3,3-dimethyl-5-oxidanylidene-pyrrolidin-2-yl)methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylate tert-Butyl 5-[(3,3-dimethyl-5-oxo-pyrrolidin-2-yl)methyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylate
CAS Registry Number 80053-14-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34N2O7
InChI InChI=1S/C23H34N2O7/c1-22(2,3)32-21(29)20-13(8-9-18(27)30-6)14(10-19(28)31-7)15(24-20)11-16-23(4,5)12-17(26)25-16/h16,24H,8-12H2,1-7H3,(H,25,26)
InChIKey HZQOZWMOXQMJEB-UHFFFAOYSA-N
Molecular Weight 450.532 g/mol
SMILES [nH]1c(c(c(c1CC1NC(CC1(C)C)=O)CC(=O)OC)CCC(=O)OC)C(OC(C)(C)C)=O
SPLASH splash10-001r-0089000000-35b022bcc9fedf7bf6aa
Source of Spectrum KC-1987-1676-46
Wiley ID 1387650