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1H-Pyrrole-2-carboxylic acid, 5-[(2,3-dimethyl-5-oxo-2-pyrrolidinyl)methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, cis-(.+-.)-
SpectraBase Compound ID FmziuZFhVWY
InChI InChI=1S/C18H28N2O3/c1-10-8-14(21)20-18(10,7)9-13-11(2)12(3)15(19-13)16(22)23-17(4,5)6/h10,19H,8-9H2,1-7H3,(H,20,21)/t10-,18-/m1/s1
InChIKey GIUDJCJOERYMRO-MLCYQJTMSA-N
Mol Weight 320.43 g/mol
Molecular Formula C18H28N2O3
Exact Mass 320.209993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGvewdheNjS
Name 1H-Pyrrole-2-carboxylic acid, 5-[(2,3-dimethyl-5-oxo-2-pyrrolidinyl)methyl]-3,4-dimethyl-, 1,1-dimethylethyl ester, cis-(.+-.)-
CAS Registry Number 114090-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N2O3
InChI InChI=1S/C18H28N2O3/c1-10-8-14(21)20-18(10,7)9-13-11(2)12(3)15(19-13)16(22)23-17(4,5)6/h10,19H,8-9H2,1-7H3,(H,20,21)/t10-,18-/m1/s1
InChIKey GIUDJCJOERYMRO-MLCYQJTMSA-N
Molecular Weight 320.433 g/mol
SMILES [nH]1c(c(c(c1C[C@]1(NC(C[C@]1(C)[H])=O)C)C)C)C(OC(C)(C)C)=O
SPLASH splash10-0w29-0900000000-87c86eac9fd25512a88e
Source of Spectrum KC-1987-2042-38
Synonyms t-Butyl 5-(2,3-dimethyl-5-oxopyrrolidin-2-ylmethyl)-3,4-dimethylpyrrole-2-carboxylate (higher rf lactam) tert-Butyl 5-{[(2R,3R)-2,3-dimethyl-5-oxopyrrolidinyl]methyl}-3,4-dimethyl-1H-pyrrole-2-carboxylate
Wiley ID 1320178