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2-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 2-chlorobenzoate
SpectraBase Compound ID 9lXwRJpDbOW
InChI InChI=1S/C22H19ClN2O3/c23-17-10-5-4-9-16(17)22(27)28-19-11-6-3-8-15(19)14-18-21(26)25-13-7-1-2-12-20(25)24-18/h3-6,8-11,14H,1-2,7,12-13H2/b18-14+
InChIKey MAHZLOHYKPTJPX-NBVRZTHBSA-N
Mol Weight 394.86 g/mol
Molecular Formula C22H19ClN2O3
Exact Mass 394.10842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ou1wKc9Sov
Name 2-[(E)-(3-oxo-6,7,8,9-tetrahydro-3H-imidazo[1,2-a]azepin-2(5H)-ylidene)methyl]phenyl 2-chlorobenzoate
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Formula C22H19ClN2O3
InChI InChI=1S/C22H19ClN2O3/c23-17-10-5-4-9-16(17)22(27)28-19-11-6-3-8-15(19)14-18-21(26)25-13-7-1-2-12-20(25)24-18/h3-6,8-11,14H,1-2,7,12-13H2/b18-14+
InChIKey MAHZLOHYKPTJPX-NBVRZTHBSA-N
Molecular Weight 394.858 g/mol
SMILES C1CCN2C(\C(=C/c3c(OC(c4c(Cl)cccc4)=O)cccc3)N=C2CC1)=O
SPLASH splash10-000i-4941000000-2906d91f3c9a18311c61
Synonyms 2-Chlorobenzoic acid [2-[(E)-(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]phenyl] ester [2-[(E)-(3-oxo-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]phenyl] 2-chlorobenzoate [2-[(E)-(3-oxidanylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-2-ylidene)methyl]phenyl] 2-chloranylbenzoate
Wiley ID 1442728