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5-Amino-2-(4-chlorophenyl)-5-keto-valeric acid

View entire compound with spectra: 1 MS (GC)

5-Amino-2-(4-chlorophenyl)-5-keto-valeric acid
SpectraBase Compound ID 6zt0OV4fSxB
InChI InChI=1S/C11H12ClNO3/c12-8-3-1-7(2-4-8)9(11(15)16)5-6-10(13)14/h1-4,9H,5-6H2,(H2,13,14)(H,15,16)
InChIKey ULXOWEMMNXKNOS-UHFFFAOYSA-N
Mol Weight 241.67 g/mol
Molecular Formula C11H12ClNO3
Exact Mass 241.050571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K8rBkA2CrYX
Name 5-Amino-2-(4-chlorophenyl)-5-keto-valeric acid
Alternate Name(s) 5-Amino-2-(4-chlorophenyl)-5-oxo-pentanoic acid 5-Azanyl-2-(4-chlorophenyl)-5-oxidanylidene-pentanoic acid
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Formula C11H12ClNO3
InChI InChI=1S/C11H12ClNO3/c12-8-3-1-7(2-4-8)9(11(15)16)5-6-10(13)14/h1-4,9H,5-6H2,(H2,13,14)(H,15,16)
InChIKey ULXOWEMMNXKNOS-UHFFFAOYSA-N
Molecular Weight 241.674 g/mol
SMILES NC(CCC(C(=O)O)c1ccc(cc1)Cl)=O
SPLASH splash10-000f-1940000000-f45581151f903c3ee277
Source of Spectrum JA-50-813-0
Wiley ID 1243897