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l-2,2-Dimethylpropanoic acid [3-hydroxy-4-methoxy-.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester
SpectraBase Compound ID AV5bwWo6VWC
InChI InChI=1S/C22H27NO4/c1-22(2,3)21(25)27-20(15-9-10-18(26-4)17(24)13-15)19-16-8-6-5-7-14(16)11-12-23-19/h5-10,13,19-20,23-24H,11-12H2,1-4H3
InChIKey XMEGWFJAPFIEGP-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FmcKZAyLOld
Name l-2,2-Dimethylpropanoic acid [3-hydroxy-4-methoxy-.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester
CAS Registry Number 114609-04-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-22(2,3)21(25)27-20(15-9-10-18(26-4)17(24)13-15)19-16-8-6-5-7-14(16)11-12-23-19/h5-10,13,19-20,23-24H,11-12H2,1-4H3
InChIKey XMEGWFJAPFIEGP-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES N1CCc2c(C1C(c1cc(c(cc1)OC)O)OC(C(C)(C)C)=O)cccc2
SPLASH splash10-001i-1900000000-472231833a5835aa9096
Source of Spectrum H-70-1371-0
Synonyms u-2,2-Dimethylpropanesaure-[3-hydroxy-4-methoxy-.alpha.-(1,2,3,4-tetrahydro-1-isochinolinyl)benzyl]ester (3-hydroxy-4-methoxyphenyl)(1,2,3,4-tetrahydro-1-isoquinolinyl)methyl pivalate L-2,2-dimethylpropanoic acid[3-hydroxy-4-methoxy-.alpha.-(1,2,3,4-tetrahydro-1-isoquinolinyl)benzyl]ester
Wiley ID 1353772