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1-[2'-(CHLOROMETHYL)-PHENETHYL]-3-HYDROXY-5-NITROINDAZOLE
SpectraBase Compound ID 7c1ADKx7KK9
InChI InChI=1S/C16H14ClN3O3/c17-10-12-4-2-1-3-11(12)7-8-19-15-6-5-13(20(22)23)9-14(15)16(21)18-19/h1-6,9H,7-8,10H2,(H,18,21)
InChIKey WLNDXQBEGWXQJH-UHFFFAOYSA-N
Mol Weight 331.76 g/mol
Molecular Formula C16H14ClN3O3
Exact Mass 331.072369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBsK1Sgcabu
Name 1-[2-[2-(chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one
Alternate Name(s) 1-[2-[2-(chloromethyl)phenyl]ethyl]-5-nitro-indazolin-3-one
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Formula C16H14ClN3O3
InChI InChI=1S/C16H14ClN3O3/c17-10-12-4-2-1-3-11(12)7-8-19-15-6-5-13(20(22)23)9-14(15)16(21)18-19/h1-6,9H,7-8,10H2,(H,18,21)
InChIKey WLNDXQBEGWXQJH-UHFFFAOYSA-N
Molecular Weight 331.759 g/mol
SMILES Oc1n[n](c2c1cc(N(=O)=O)cc2)CCc1c(CCl)cccc1
SPLASH splash10-0007-0951000000-8c828427d6e81df72729
Source of Spectrum KC-1993-1125-18
Wiley ID 777971