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Chingazumianine

View entire compound with spectra: 2 MS (GC)

Chingazumianine
SpectraBase Compound ID C5hZ82QvGo0
InChI InChI=1S/C23H23Cl2NO6/c1-12(27)14-6-7-16(29-2)21(32-5)19(14)20(22(24)25)26-9-8-13-10-17(30-3)18(31-4)11-15(13)23(26)28/h6-7,10-11H,8-9H2,1-5H3
InChIKey PQERVSMSPVJMKR-UHFFFAOYSA-N
Mol Weight 480.34 g/mol
Molecular Formula C23H23Cl2NO6
Exact Mass 479.090243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzrTYorlQ1b
Name 2-[1-(6-Acetyl-2,3-dimethoxyphenyl)-2,2-dichloroethenyl]-3,4-dihydro-6,7-dimethoxy- isoquinolin-1(2H)-one
Alternate Name(s) Chingazumianine 2-(1-(6-acetyl-2,3-dimethoxyphenyl)-2,2-dichlorovinyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23Cl2NO6
InChI InChI=1S/C23H23Cl2NO6/c1-12(27)14-6-7-16(29-2)21(32-5)19(14)20(22(24)25)26-9-8-13-10-17(30-3)18(31-4)11-15(13)23(26)28/h6-7,10-11H,8-9H2,1-5H3
InChIKey PQERVSMSPVJMKR-UHFFFAOYSA-N
Molecular Weight 480.344 g/mol
SMILES c1(cc2CCN(C(c2cc1OC)=O)C(=C(Cl)Cl)c1c(ccc(c1OC)OC)C(C)=O)OC
SPLASH splash10-052f-0481900000-220057ef3829e983283c
Source of Spectrum H-83-2998-1
Wiley ID 1787496