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Benzoic acid, 4-chloro-, 4-(5-cyano-1H-1,2,3-triazol-4-yl)phenyl ester
SpectraBase Compound ID JodFztcfmhy
InChI InChI=1S/C16H9ClN4O2/c17-12-5-1-11(2-6-12)16(22)23-13-7-3-10(4-8-13)15-14(9-18)19-21-20-15/h1-8H,(H,19,20,21)
InChIKey KDMAEFFXGWLMGR-UHFFFAOYSA-N
Mol Weight 324.73 g/mol
Molecular Formula C16H9ClN4O2
Exact Mass 324.041403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Id4u3DApQdn
Name Benzoic acid, 4-chloro-, 4-(5-cyano-1H-1,2,3-triazol-4-yl)phenyl ester
Alternate Name(s) 4-(5-Cyano-1H-1,2,3-triazol-4-yl)phenyl 4-chlorobenzoate [4-(5-cyano-2H-triazol-4-yl)phenyl] 4-chlorobenzoate [4-(5-cyano-2H-1,2,3-triazol-4-yl)phenyl] 4-chloranylbenzoate
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Formula C16H9ClN4O2
InChI InChI=1S/C16H9ClN4O2/c17-12-5-1-11(2-6-12)16(22)23-13-7-3-10(4-8-13)15-14(9-18)19-21-20-15/h1-8H,(H,19,20,21)
InChIKey KDMAEFFXGWLMGR-UHFFFAOYSA-N
Molecular Weight 324.727 g/mol
SMILES [nH]1nnc(c1C#N)-c1ccc(OC(c2ccc(Cl)cc2)=O)cc1
SPLASH splash10-000i-1900000000-5a091f4d207332bad0d9
Source of Spectrum AD-0-2532-0
Wiley ID 1427461