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1-[1-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone
SpectraBase Compound ID 7b3ua5HpLyW
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(24)23-11-10-16-6-4-5-7-17(16)18(23)12-15-8-9-19-20(13-15)26-14-25-19/h4-9,13,18H,10-12,14H2,1-3H3
InChIKey OTAJZMUQAZULBI-UHFFFAOYSA-N
Mol Weight 351.45 g/mol
Molecular Formula C22H25NO3
Exact Mass 351.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Sqz3LTpZ3u
Name 1-[1-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone
Alternate Name(s) 1-[1-(1,3-benzodioxol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-propan-1-one 2,2-Dimethyl-1-(1-piperonyl-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
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Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(24)23-11-10-16-6-4-5-7-17(16)18(23)12-15-8-9-19-20(13-15)26-14-25-19/h4-9,13,18H,10-12,14H2,1-3H3
InChIKey OTAJZMUQAZULBI-UHFFFAOYSA-N
Molecular Weight 351.446 g/mol
SMILES C1(N(CCc2ccccc12)C(C(C)(C)C)=O)Cc1cc2OCOc2cc1
SPLASH splash10-067i-6980000000-06890cd413b177084c03
Source of Spectrum F-39-1969-0
Wiley ID 116633