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4-Oxo-4-(2,4,5-trimethylanilino)butanoic acid
SpectraBase Compound ID B9MC9rhtQEV
InChI InChI=1S/C13H17NO3/c1-8-6-10(3)11(7-9(8)2)14-12(15)4-5-13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKey MQAKIODKLHAONP-UHFFFAOYSA-N
Mol Weight 235.28 g/mol
Molecular Formula C13H17NO3
Exact Mass 235.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hnsYJ7ideL
Name 4-Oxo-4-(2,4,5-trimethylanilino)butanoic acid
CAS Registry Number 187028-76-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO3
InChI InChI=1S/C13H17NO3/c1-8-6-10(3)11(7-9(8)2)14-12(15)4-5-13(16)17/h6-7H,4-5H2,1-3H3,(H,14,15)(H,16,17)
InChIKey MQAKIODKLHAONP-UHFFFAOYSA-N
Molecular Weight 235.283 g/mol
SMILES N(c1cc(C)c(cc1C)C)C(CCC(=O)O)=O
SPLASH splash10-000i-2910000000-81f1559fde934c51ee2e
Source of Spectrum AD-0-2532-0
Synonyms 4-keto-4-pseudocumidino-butyric acid 4-Oxidanylidene-4-[(2,4,5-trimethylphenyl)amino]butanoic acid
Wiley ID 1432075