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(4aS,8aR) 4-(p-Fluorophenyl)-hexahydro-1(2H)-phthalazinone
SpectraBase Compound ID 8QfjIzeCPHl
InChI InChI=1S/C14H15FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h5-8,11-12H,1-4H2,(H,17,18)/t11-,12+/m0/s1
InChIKey DUHOURCFDSJCFI-NWDGAFQWSA-N
Mol Weight 246.29 g/mol
Molecular Formula C14H15FN2O
Exact Mass 246.116841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5FukqY3XuI
Name (4aS,8aR) 4-(p-Fluorophenyl)-hexahydro-1(2H)-phthalazinone
Alternate Name(s) (4aS,8aR)-4-(4-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone 4-(p-Fluorophenyl)-hexahydro-1(2H)-phthalazinone
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Formula C14H15FN2O
InChI InChI=1S/C14H15FN2O/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(18)17-16-13/h5-8,11-12H,1-4H2,(H,17,18)/t11-,12+/m0/s1
InChIKey DUHOURCFDSJCFI-NWDGAFQWSA-N
Molecular Weight 246.285 g/mol
SMILES N1C([C@@]2(CCCC[C@@]2(C(=N1)c1ccc(cc1)F)[H])[H])=O
SPLASH splash10-0007-0980000000-70daf28367490e5f5d49
Source of Spectrum SK-23-2962-2
Wiley ID 865965