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2-[(2E)-2-[2-(4-tert-butylphenyl)-2-keto-ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
SpectraBase Compound ID 42pVCPi5au9
InChI InChI=1S/C20H27NO3/c1-19(2,3)15-8-6-14(7-9-15)17(22)10-16-11-20(4,5)13-21(16)12-18(23)24/h6-10H,11-13H2,1-5H3,(H,23,24)/b16-10+
InChIKey LMLPIDLIYAGHED-MHWRWJLKSA-N
Mol Weight 329.44 g/mol
Molecular Formula C20H27NO3
Exact Mass 329.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AIR5cRyJrd
Name 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-keto-ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27NO3
InChI InChI=1S/C20H27NO3/c1-19(2,3)15-8-6-14(7-9-15)17(22)10-16-11-20(4,5)13-21(16)12-18(23)24/h6-10H,11-13H2,1-5H3,(H,23,24)/b16-10+
InChIKey LMLPIDLIYAGHED-MHWRWJLKSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 329.440 g/mol
SMILES OC(CN1\C(CC(C1)(C)C)=C/C(=O)c1ccc(cc1)C(C)(C)C)=O
SPLASH splash10-00xr-9782000000-30edd1f90acd60d224b1
Source of Spectrum APP-330-79-4h
Synonyms [2-[2-(4-tert-Buryl-phenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]-acetic acid 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]ethanoic acid 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]acetic acid 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethyl-1-pyrrolidinyl]acetic acid (E)-2-(2-(2-(4-(tert-butyl)phenyl)-2-oxoethylidene)-4,4-dimethylpyrrolidin-1-yl)acetic acid 2-[(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-4,4-dimethylpyrrolidin-1-yl]acetic acid
Wiley ID 1770166