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1H-Pyrrole-2-carboxylic acid, 5-[2-(dimethylamino)-1-(4,4-dimethyl-5-oxo-2-pyrrolidinylidene)ethyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, (E)-
SpectraBase Compound ID B7ddHkCxrC
InChI InChI=1S/C21H33N3O3/c1-12-13(2)17(18(25)27-20(3,4)5)23-16(12)14(11-24(8)9)15-10-21(6,7)19(26)22-15/h23H,10-11H2,1-9H3,(H,22,26)/b15-14+
InChIKey LONCKMCKHKFHAS-CCEZHUSRSA-N
Mol Weight 375.5 g/mol
Molecular Formula C21H33N3O3
Exact Mass 375.252192 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDMNTZg6qOy
Name 1H-Pyrrole-2-carboxylic acid, 5-[2-(dimethylamino)-1-(4,4-dimethyl-5-oxo-2-pyrrolidinylidene)ethyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, (E)-
CAS Registry Number 118974-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H33N3O3
InChI InChI=1S/C21H33N3O3/c1-12-13(2)17(18(25)27-20(3,4)5)23-16(12)14(11-24(8)9)15-10-21(6,7)19(26)22-15/h23H,10-11H2,1-9H3,(H,22,26)/b15-14+
InChIKey LONCKMCKHKFHAS-CCEZHUSRSA-N
Molecular Weight 375.513 g/mol
SMILES N1C(C(C\C1=C\(c1c(c(c([nH]1)C(OC(C)(C)C)=O)C)C)CN(C)C)(C)C)=O
SPLASH splash10-05ir-0093000000-dc0d2c825606774b0855
Source of Spectrum AH-119-620-0
Synonyms (t-butyl) (E)-5-[2-dimethylamino-1-(3,3-dimethyl-2-oxopyrrolidin-5-ylidene)ethyl]-3,4-dimethylpyrrole-2-carboxylate tert-Butyl 5-[(1E)-2-(dimethylamino)-1-(4,4-dimethyl-5-oxo-2-pyrrolidinylidene)ethyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1357238