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2-[(2E)-2-[2-keto-2-(4-nitrophenyl)ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
SpectraBase Compound ID 8T3oMgnejwV
InChI InChI=1S/C16H18N2O5/c1-16(2)8-13(17(10-16)9-15(20)21)7-14(19)11-3-5-12(6-4-11)18(22)23/h3-7H,8-10H2,1-2H3,(H,20,21)/b13-7+
InChIKey SEUIDMWKPBNUCT-NTUHNPAUSA-N
Mol Weight 318.33 g/mol
Molecular Formula C16H18N2O5
Exact Mass 318.121572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Ehs0hrM9MX
Name 2-[(2E)-2-[2-keto-2-(4-nitrophenyl)ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O5
InChI InChI=1S/C16H18N2O5/c1-16(2)8-13(17(10-16)9-15(20)21)7-14(19)11-3-5-12(6-4-11)18(22)23/h3-7H,8-10H2,1-2H3,(H,20,21)/b13-7+
InChIKey SEUIDMWKPBNUCT-NTUHNPAUSA-N
Literature Reference DOI 10.1002/ardp.19973300307
Molecular Weight 318.329 g/mol
SMILES OC(CN1\C(CC(C1)(C)C)=C/C(c1ccc(cc1)[N+](=O)[O-])=O)=O
SPLASH splash10-00kb-9112000000-6f9fff2df35c19d0b862
Source of Spectrum APP-330-79-4j
Synonyms {4,4-Dimethyl-2-[2-oxo-2-(4-nitro-phenyl)-ethylidene]-pyrrolidin-1-yl}acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethylidene]pyrrolidin-1-yl]ethanoic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethylidene]pyrrolidin-1-yl]acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethylidene]-1-pyrrolidinyl]acetic acid (E)-2-(4,4-dimethyl-2-(2-(4-nitrophenyl)-2-oxoethylidene)pyrrolidin-1-yl)acetic acid 2-[(2E)-4,4-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethylidene]pyrrolidin-1-yl]acetic acid
Wiley ID 1770168