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u-(tert-Butyl)-[1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ketone
SpectraBase Compound ID 35CvI0EsAAw
InChI InChI=1S/C22H27NO4/c1-22(2,3)21(26)23-12-11-14-7-5-6-8-16(14)19(23)20(25)15-9-10-18(27-4)17(24)13-15/h5-10,13,19-20,24-25H,11-12H2,1-4H3/t19?,20-/m1/s1
InChIKey IYOPQAAYLGJCLC-GFOWMXPYSA-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 IaPfucENbG0
Name u-(tert-Butyl)-[1-(.alpha.,3-dihydroxy-4-methoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]ketone
Alternate Name(s) 5-[(R)-[2-(2,2-dimethylpropanoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl](hydroxy)methyl]-2-methoxyphenol
CAS Registry Number 114633-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-22(2,3)21(26)23-12-11-14-7-5-6-8-16(14)19(23)20(25)15-9-10-18(27-4)17(24)13-15/h5-10,13,19-20,24-25H,11-12H2,1-4H3/t19?,20-/m1/s1
InChIKey IYOPQAAYLGJCLC-GFOWMXPYSA-N
Molecular Weight 369.461 g/mol
SMILES Oc1cc([C@](C2N(C(C(C)(C)C)=O)CCc3ccccc23)(O)[H])ccc1OC
SPLASH splash10-0a4i-9430000000-91c96e7538e3441fc40c
Source of Spectrum H-70-1369-10
Wiley ID 1353771