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(3S,4S)-2,4-dimethyl-3-phenyl-3,4-dihydroisocarbostyril
SpectraBase Compound ID J0fNsMVqqDi
InChI InChI=1S/C17H17NO/c1-12-14-10-6-7-11-15(14)17(19)18(2)16(12)13-8-4-3-5-9-13/h3-12,16H,1-2H3/t12-,16-/m0/s1
InChIKey SJAVZJIZLJHWOK-LRDDRELGSA-N
Mol Weight 251.33 g/mol
Molecular Formula C17H17NO
Exact Mass 251.131014 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4GSs0ouSco0
Name (3S,4S)-2,4-dimethyl-3-phenyl-3,4-dihydroisocarbostyril
Alternate Name(s) (3S,4S)-2,4-dimethyl-3-phenyl-3,4-dihydroisoquinolin-1-one
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Formula C17H17NO
InChI InChI=1S/C17H17NO/c1-12-14-10-6-7-11-15(14)17(19)18(2)16(12)13-8-4-3-5-9-13/h3-12,16H,1-2H3/t12-,16-/m0/s1
InChIKey SJAVZJIZLJHWOK-LRDDRELGSA-N
Molecular Weight 251.329 g/mol
SMILES C1(N([C@@]([C@](c2ccccc12)(C)[H])(c1ccccc1)[H])C)=O
SPLASH splash10-0f89-0900000000-16a82b46fc260bb1d72b
Source of Spectrum J-66-1996-8
Wiley ID 1534853