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1,3-Dioxane-4,6-dione, 5-[(3,4-dihydro-1-phenyl-2(1H)-isoquinolinyl)methylene]-2,2-dimethyl-, (S)-
SpectraBase Compound ID 4avLDEAuA6i
InChI InChI=1S/C22H21NO4/c1-22(2)26-20(24)18(21(25)27-22)14-23-13-12-15-8-6-7-11-17(15)19(23)16-9-4-3-5-10-16/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKey MTXCWNBNUOZMIH-IBGZPJMESA-N
Mol Weight 363.41 g/mol
Molecular Formula C22H21NO4
Exact Mass 363.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2i0DvgHRcDB
Name 1,3-Dioxane-4,6-dione, 5-[(3,4-dihydro-1-phenyl-2(1H)-isoquinolinyl)methylene]-2,2-dimethyl-, (S)-
CAS Registry Number 110396-69-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21NO4
InChI InChI=1S/C22H21NO4/c1-22(2)26-20(24)18(21(25)27-22)14-23-13-12-15-8-6-7-11-17(15)19(23)16-9-4-3-5-10-16/h3-11,14,19H,12-13H2,1-2H3/t19-/m0/s1
InChIKey MTXCWNBNUOZMIH-IBGZPJMESA-N
Molecular Weight 363.413 g/mol
SMILES C1(=CN2[C@](c3ccccc3CC2)(c2ccccc2)[H])C(OC(OC1=O)(C)C)=O
SPLASH splash10-00or-0091000000-c51c15acda54158a6551
Source of Spectrum KC-1988-872-7
Synonyms 2,2-Dimethyl-5-[((1S)-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)methylene]-1,3-dioxane-4,6-dione 5-(2-(1-phenyl)-tetrahydroisoquinolyl-methylene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Wiley ID 1350314