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7,7-Dimethyl-3-[2-(4-fluorophenyl)[1,2,3]triazole-5-ylmethyl]bicyclo3.1.1]heptan-2-one
SpectraBase Compound ID Bjzg8jCtx0V
InChI InChI=1S/C18H20FN3O/c1-18(2)12-7-11(17(23)16(18)9-12)8-14-10-20-22(21-14)15-5-3-13(19)4-6-15/h3-6,10-12,16H,7-9H2,1-2H3/t11-,12-,16-/m0/s1
InChIKey HPTXPJXKTRZGBK-MKBNYLNASA-N
Mol Weight 313.38 g/mol
Molecular Formula C18H20FN3O
Exact Mass 313.15904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K7kg1dvjA09
Name 7,7-Dimethyl-3-[2-(4-fluorophenyl)[1,2,3]triazole-5-ylmethyl]bicyclo3.1.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20FN3O
InChI InChI=1S/C18H20FN3O/c1-18(2)12-7-11(17(23)16(18)9-12)8-14-10-20-22(21-14)15-5-3-13(19)4-6-15/h3-6,10-12,16H,7-9H2,1-2H3/t11-,12-,16-/m0/s1
InChIKey HPTXPJXKTRZGBK-MKBNYLNASA-N
Molecular Weight 313.376 g/mol
SMILES c1(n[n](nc1)-c1ccc(cc1)F)C[C@]1(C([C@@]2(C[C@@](C2(C)C)(C1)[H])[H])=O)[H]
SPLASH splash10-006t-2910000000-8da013aceb48d3dff35c
Source of Spectrum KD-15-3722-2
Wiley ID 1637396