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1-Benzyl-2-(2,2-dimethyl-propionyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
SpectraBase Compound ID 69jN1uDz7B4
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)14-19(23)20(24)25/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)
InChIKey CMKGUUIBQJOJPS-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 EacbiplJiUk
Name 1-Benzyl-2-(2,2-dimethyl-propionyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
Alternate Name(s) 1-Benzyl-2-(2,2-dimethylpropanoyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxylic acid 1-Benzyl-2-(2,2-dimethylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 1-Benzyl-2-pivaloyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-(2,2-dimethyl-1-oxopropyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid 2-(2,2-dimethylpropanoyl)-1-(phenylmethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
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Formula C22H25NO3
InChI InChI=1S/C22H25NO3/c1-22(2,3)21(26)23-18(13-15-9-5-4-6-10-15)17-12-8-7-11-16(17)14-19(23)20(24)25/h4-12,18-19H,13-14H2,1-3H3,(H,24,25)
InChIKey CMKGUUIBQJOJPS-UHFFFAOYSA-N
Molecular Weight 351.446 g/mol
SMILES OC(C1N(C(c2ccccc2C1)Cc1ccccc1)C(=O)C(C)(C)C)=O
SPLASH splash10-0a7i-9720000000-f442f2ed4f40d954841e
Wiley ID 1482077