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Pentanamide, N-(2-chloro-5-nitrophenyl)-2-[(4-hydroxyphenyl)imino]-4,4-dimethyl-3-oxo-
SpectraBase Compound ID 9d4KvyjqG8d
InChI InChI=1S/C19H18ClN3O5/c1-19(2,3)17(25)16(21-11-4-7-13(24)8-5-11)18(26)22-15-10-12(23(27)28)6-9-14(15)20/h4-10,24H,1-3H3,(H,22,26)/b21-16-
InChIKey NUYIBORIFYDMQD-PGMHBOJBSA-N
Mol Weight 403.82 g/mol
Molecular Formula C19H18ClN3O5
Exact Mass 403.093498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID nAVNYQK3L4
Name Pentanamide, N-(2-chloro-5-nitrophenyl)-2-[(4-hydroxyphenyl)imino]-4,4-dimethyl-3-oxo-
Alternate Name(s) N-(2-chloro-5-nitrophenyl)-2-((4-hydroxyphenyl)imino)-4,4-dimethyl-3-oxopentanamide
Comments Removed - expert review - bottom end of spectrum too distorted
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Formula C19H18ClN3O5
InChI InChI=1S/C19H18ClN3O5/c1-19(2,3)17(25)16(21-11-4-7-13(24)8-5-11)18(26)22-15-10-12(23(27)28)6-9-14(15)20/h4-10,24H,1-3H3,(H,22,26)/b21-16-
InChIKey NUYIBORIFYDMQD-PGMHBOJBSA-N
Molecular Weight 403.822 g/mol
SMILES Oc1ccc(\N=C/(C(=O)Nc2cc(ccc2Cl)[N+]([O-])=O)C(C(C)(C)C)=O)cc1
SPLASH splash10-05tf-9400000000-022c890d284914bb5b56
Source of Spectrum JX-2015-4-46
Wiley ID 1725502