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2-[(2E)-2-[2-(4-chlorophenyl)-2-keto-ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
SpectraBase Compound ID Y6eCL4Gm03
InChI InChI=1S/C16H18ClNO3/c1-16(2)8-13(18(10-16)9-15(20)21)7-14(19)11-3-5-12(17)6-4-11/h3-7H,8-10H2,1-2H3,(H,20,21)/b13-7+
InChIKey RRKMWLVAQODTIU-NTUHNPAUSA-N
Mol Weight 307.78 g/mol
Molecular Formula C16H18ClNO3
Exact Mass 307.097521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46RNwD4bsDx
Name 2-[(2E)-2-[2-(4-chlorophenyl)-2-keto-ethylidene]-4,4-dimethyl-pyrrolidino]acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18ClNO3
InChI InChI=1S/C16H18ClNO3/c1-16(2)8-13(18(10-16)9-15(20)21)7-14(19)11-3-5-12(17)6-4-11/h3-7H,8-10H2,1-2H3,(H,20,21)/b13-7+
InChIKey RRKMWLVAQODTIU-NTUHNPAUSA-N
Molecular Weight 307.777 g/mol
SMILES OC(CN1\C(=C\C(c2ccc(cc2)Cl)=O)CC(C1)(C)C)=O
SPLASH splash10-006x-0961000000-9d8c6fe492961aef78f8
Source of Spectrum D8-330-78-4
Synonyms 2-[(2E)-2-[2-(4-chlorophenyl)-2-oxidanylidene-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]ethanoic acid 2-[(2E)-2-[2-(4-chlorophenyl)-2-oxo-ethylidene]-4,4-dimethyl-pyrrolidin-1-yl]acetic acid 2-[(2E)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-4,4-dimethyl-1-pyrrolidinyl]acetic acid
Wiley ID 1516376