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1-[1-(1-Hydroxy-2-phenylethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
SpectraBase Compound ID Dsqk4JJq0EK
InChI InChI=1S/C22H27NO2/c1-22(2,3)21(25)23-14-13-17-11-7-8-12-18(17)20(23)19(24)15-16-9-5-4-6-10-16/h4-12,19-20,24H,13-15H2,1-3H3
InChIKey PSPATYCIRBFBMM-UHFFFAOYSA-N
Mol Weight 337.46 g/mol
Molecular Formula C22H27NO2
Exact Mass 337.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ce1pycEFE5t
Name 1-[1-(1-Hydroxy-2-phenylethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CAS Registry Number 114609-16-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO2
InChI InChI=1S/C22H27NO2/c1-22(2,3)21(25)23-14-13-17-11-7-8-12-18(17)20(23)19(24)15-16-9-5-4-6-10-16/h4-12,19-20,24H,13-15H2,1-3H3
InChIKey PSPATYCIRBFBMM-UHFFFAOYSA-N
Molecular Weight 337.463 g/mol
SMILES OC(C1N(C(C(C)(C)C)=O)CCc2ccccc12)Cc1ccccc1
SPLASH splash10-067i-5590000000-7a0a5f490c6af73a5506
Source of Spectrum H-70-1368-5
Synonyms 1-[1-(1-hydroxy-2-phenylethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-2,2-dimethyl-1-propanone 1-[2-(2,2-Dimethylpropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]-2-phenylethanol 2,2-Dimethyl-1-[1-(1-oxidanyl-2-phenyl-ethyl)-3,4-dihydro-1H-isoquinolin-2-yl]propan-1-one
Wiley ID 1333246