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N-[(4'-Chlorophenyl)carbamoyl]glutamic acid
SpectraBase Compound ID Fp2tgES59xb
InChI InChI=1S/C12H13ClN2O5/c13-7-1-3-8(4-2-7)14-12(20)15-9(11(18)19)5-6-10(16)17/h1-4,9H,5-6H2,(H,16,17)(H,18,19)(H2,14,15,20)/t9-/m0/s1
InChIKey CNJKFUYNURWCEA-VIFPVBQESA-N
Mol Weight 300.7 g/mol
Molecular Formula C12H13ClN2O5
Exact Mass 300.051299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nsl6ff3sTa
Name N-[(4'-Chlorophenyl)carbamoyl]glutamic acid
Alternate Name(s) (2S)-2-{[(4-chloroanilino)carbonyl]amino}pentanedioic acid (2S)-2-[[(4-chloroanilino)-oxomethyl]amino]pentanedioic acid (2S)-2-[(4-chlorophenyl)carbamoylamino]pentanedioic acid
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Formula C12H13ClN2O5
InChI InChI=1S/C12H13ClN2O5/c13-7-1-3-8(4-2-7)14-12(20)15-9(11(18)19)5-6-10(16)17/h1-4,9H,5-6H2,(H,16,17)(H,18,19)(H2,14,15,20)/t9-/m0/s1
InChIKey CNJKFUYNURWCEA-VIFPVBQESA-N
Molecular Weight 300.698 g/mol
SMILES N(C(Nc1ccc(cc1)Cl)=O)[C@@](CCC(=O)O)(C(=O)O)[H]
SPLASH splash10-0ugi-5940000000-6f9155df2b050b474e53
Source of Spectrum H-81-1261-3
Wiley ID 1302396