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4-(4-Chlorophenyl)-2,5,5-trimethyl-1-oxido-3-pyrrol-1-iumcarboxylic acid ethyl ester
SpectraBase Compound ID 6L7qmumuH6e
InChI InChI=1S/C16H18ClNO3/c1-5-21-15(19)13-10(2)18(20)16(3,4)14(13)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3
InChIKey WJWULAHBNHTZPC-UHFFFAOYSA-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 D877wFUg41g
Name 4-(4-Chlorophenyl)-2,5,5-trimethyl-1-oxido-3-pyrrol-1-iumcarboxylic acid ethyl ester
Alternate Name(s) 4-(4-Chlorophenyl)-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylic acid ethyl ester Ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxidanidyl-pyrrol-1-ium-3-carboxylate Ethyl 4-(4-chlorophenyl)-2,5,5-trimethyl-1-oxido-pyrrol-1-ium-3-carboxylate
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Formula C16H18ClNO3
InChI InChI=1S/C16H18ClNO3/c1-5-21-15(19)13-10(2)18(20)16(3,4)14(13)11-6-8-12(17)9-7-11/h6-9H,5H2,1-4H3
InChIKey WJWULAHBNHTZPC-UHFFFAOYSA-N
Molecular Weight 307.777 g/mol
SMILES C1([N+](=C(C(=C1c1ccc(cc1)Cl)C(=O)OCC)C)[O-])(C)C
SPLASH splash10-07bf-0092000000-317af196655b3796ec5e
Source of Spectrum SO-0-1499-3
Wiley ID 875948