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(4aS,8aR)-4-Phenyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
SpectraBase Compound ID 5CmDaLmtUYg
InChI InChI=1S/C14H16N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)/t11-,12+/m0/s1
InChIKey BFXQAJJEPCWXHB-NWDGAFQWSA-N
Mol Weight 228.29 g/mol
Molecular Formula C14H16N2O
Exact Mass 228.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I51dDCY9nQ0
Name (4aS,8aR)-4-Phenyl-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
Alternate Name(s) (4aS,8aR)-4-phenyl-4a,5,6,7,8,8a-hexahydro-1(2H)-phthalazinone (4aS,8aR)-4-Phenyl-hexahydro-1(2H)-phthalazinone 4-Phenyl-hexahydro-1(2H)-phthalazinone
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Formula C14H16N2O
InChI InChI=1S/C14H16N2O/c17-14-12-9-5-4-8-11(12)13(15-16-14)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,16,17)/t11-,12+/m0/s1
InChIKey BFXQAJJEPCWXHB-NWDGAFQWSA-N
Molecular Weight 228.295 g/mol
SMILES N1C([C@@]2(CCCC[C@@]2(C(=N1)c1ccccc1)[H])[H])=O
SPLASH splash10-00fr-0960000000-353d9e16216baf9ab048
Source of Spectrum SK-23-2962-2
Wiley ID 865967