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3-(3-Chloranyl-1,2,4-triazol-1-yl)adamantan-1-ol
SpectraBase Compound ID 3lA3Gzsc0zb
InChI InChI=1S/C12H16ClN3O/c13-10-14-7-16(15-10)11-2-8-1-9(3-11)5-12(17,4-8)6-11/h7-9,17H,1-6H2/t8-,9+,11+,12-
InChIKey NVQCMQJHJUGJIV-CDJYRKNRSA-N
Mol Weight 253.73 g/mol
Molecular Formula C12H16ClN3O
Exact Mass 253.09819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj9vEByMU21
Name 3-(3-Chloranyl-1,2,4-triazol-1-yl)adamantan-1-ol
Alternate Name(s) 3-(3-Chloro-1,2,4-triazol-1-yl)-1-adamantanol 3-(3-Chloro-1,2,4-triazol-1-yl)adamantan-1-ol Adamantan-1-ol, 3-(3-chloro-[1,2,4]triazol-1-yl)-
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Formula C12H16ClN3O
InChI InChI=1S/C12H16ClN3O/c13-10-14-7-16(15-10)11-2-8-1-9(3-11)5-12(17,4-8)6-11/h7-9,17H,1-6H2/t8-,9+,11+,12-
InChIKey NVQCMQJHJUGJIV-CDJYRKNRSA-N
Molecular Weight 253.733 g/mol
SMILES O[C@]12C[C@]3([n]4nc(Cl)nc4)C[C@](C1)(C[C@@](C3)(C2)[H])[H]
SPLASH splash10-0udl-9700000000-96876495a977e4310408
Wiley ID 1441675