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Isoquinoline, 2-acetyl-1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-
SpectraBase Compound ID DNJceIqSPi3
InChI InChI=1S/C22H25NO6/c1-13(24)23-9-8-14-10-19(28-4)20(29-5)12-16(14)21(23)22(25)15-6-7-17(26-2)18(11-15)27-3/h6-7,10-12,21H,8-9H2,1-5H3
InChIKey PFHFUCHMQAZYIN-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C22H25NO6
Exact Mass 399.168188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C10pQu1y7p2
Name Isoquinoline, 2-acetyl-1-(3,4-dimethoxybenzoyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-
CAS Registry Number 112970-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H25NO6
InChI InChI=1S/C22H25NO6/c1-13(24)23-9-8-14-10-19(28-4)20(29-5)12-16(14)21(23)22(25)15-6-7-17(26-2)18(11-15)27-3/h6-7,10-12,21H,8-9H2,1-5H3
InChIKey PFHFUCHMQAZYIN-UHFFFAOYSA-N
Molecular Weight 399.443 g/mol
SMILES C1(N(C(=O)C)CCc2c1cc(c(OC)c2)OC)C(c1cc(OC)c(cc1)OC)=O
SPLASH splash10-000x-1980000000-1cd0804106c0b3b9ad5a
Source of Spectrum J-53-1183-38
Synonyms (2-acetyl-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)(3,4-dimethoxyphenyl)methanone 6,7-Methoxy-2-acetyl-1-(3,4-methoxyphenylcarbonyl)-1,2,3,4-tetrahydro-isoquiniline
Wiley ID 1368992