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u-2,2-Dimethylpropanoic acid [.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester
SpectraBase Compound ID LqdixUWPwNa
InChI InChI=1S/C21H25NO2/c1-21(2,3)20(23)24-19(16-10-5-4-6-11-16)18-17-12-8-7-9-15(17)13-14-22-18/h4-12,18-19,22H,13-14H2,1-3H3
InChIKey XKDSERNISVRPET-UHFFFAOYSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EvqTNAO67Zd
Name u-2,2-Dimethylpropanoic acid [.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester
CAS Registry Number 114608-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-21(2,3)20(23)24-19(16-10-5-4-6-11-16)18-17-12-8-7-9-15(17)13-14-22-18/h4-12,18-19,22H,13-14H2,1-3H3
InChIKey XKDSERNISVRPET-UHFFFAOYSA-N
Molecular Weight 323.436 g/mol
SMILES N1CCc2c(C1C(OC(C(C)(C)C)=O)c1ccccc1)cccc2
SPLASH splash10-001i-4900000000-ca4dd429c196451b2db7
Source of Spectrum H-70-1371-0
Synonyms l-2,2-Dimethylpropanoic acid [1-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester U-2,2-dimethylpropanoic acid[.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester L-2,2-dimethylpropanoic acid[1-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester phenyl(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl pivalate
Wiley ID 1322631