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Isoquinoline, 1-[(acetyloxy)(3,4-dimethoxyphenyl)methylene]-2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-, (Z)-
SpectraBase Compound ID 4OOl6C0VxRk
InChI InChI=1S/C29H29NO7/c1-33-24-11-10-19(14-25(24)34-2)15-28(31)37-18-23-22-17-27(36-4)26(35-3)16-21(22)12-13-30(23)29(32)20-8-6-5-7-9-20/h5-11,14,16-18H,12-13,15H2,1-4H3/b23-18-
InChIKey PXJQMSZBMRFGJR-NKFKGCMQSA-N
Mol Weight 503.55 g/mol
Molecular Formula C29H29NO7
Exact Mass 503.194402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FQbrYYxb0Zu
Name Isoquinoline, 1-[(acetyloxy)(3,4-dimethoxyphenyl)methylene]-2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxy-, (Z)-
Alternate Name(s) (Z)-(2-benzoyl-6,7-dimethoxy-3,4-dihydro-1(2H)-isoquinolinylidene)methyl (3,4-dimethoxyphenyl)acetate 1-(3,4-Dimethoxyphenylacetoxymethylene)-2-benzoyl-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline
CAS Registry Number 112970-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29NO7
InChI InChI=1S/C29H29NO7/c1-33-24-11-10-19(14-25(24)34-2)15-28(31)37-18-23-22-17-27(36-4)26(35-3)16-21(22)12-13-30(23)29(32)20-8-6-5-7-9-20/h5-11,14,16-18H,12-13,15H2,1-4H3/b23-18-
InChIKey PXJQMSZBMRFGJR-NKFKGCMQSA-N
Molecular Weight 503.551 g/mol
SMILES c12\C(N(CCc1cc(c(c2)OC)OC)C(=O)c1ccccc1)=C\OC(=O)Cc1cc(OC)c(cc1)OC
SPLASH splash10-0a4i-0900400000-a325313548f0c6ac7024
Source of Spectrum J-53-1180-0
Wiley ID 1399411