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1(2H)-Pyrazinecarboxylic acid, 4-[2-chloro-6-[(2-methylbenzoyl)amino]phenyl]tetrahydro-, ethyl ester
SpectraBase Compound ID 2c2PTBxhzhK
InChI InChI=1S/C21H24ClN3O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-17(22)9-6-10-18(19)23-20(26)16-8-5-4-7-15(16)2/h4-10H,3,11-14H2,1-2H3,(H,23,26)
InChIKey QPKZNKJNRUPAMU-UHFFFAOYSA-N
Mol Weight 401.89 g/mol
Molecular Formula C21H24ClN3O3
Exact Mass 401.150619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1fhy7P4UWw1
Name 1(2H)-Pyrazinecarboxylic acid, 4-[2-chloro-6-[(2-methylbenzoyl)amino]phenyl]tetrahydro-, ethyl ester
Alternate Name(s) Ethyl 4-{2-chloro-6-[(2-methylbenzene)amido]phenyl}piperazine-1-carboxylate 4-[2-chloro-6-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid ethyl ester Ethyl 4-[2-chloro-6-[(2-methylbenzoyl)amino]phenyl]piperazine-1-carboxylate Ethyl 4-[2-chloranyl-6-[(2-methylphenyl)carbonylamino]phenyl]piperazine-1-carboxylate
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Formula C21H24ClN3O3
InChI InChI=1S/C21H24ClN3O3/c1-3-28-21(27)25-13-11-24(12-14-25)19-17(22)9-6-10-18(19)23-20(26)16-8-5-4-7-15(16)2/h4-10H,3,11-14H2,1-2H3,(H,23,26)
InChIKey QPKZNKJNRUPAMU-UHFFFAOYSA-N
Molecular Weight 401.894 g/mol
SMILES N(c1c(N2CCN(CC2)C(=O)OCC)c(Cl)ccc1)C(c1c(C)cccc1)=O
SPLASH splash10-014i-4910000000-23e5c5fb2ec8df410a11
Source of Spectrum IY-2-4974-6
Wiley ID 1657729