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METHYL ANHYDROBERBERILATE
SpectraBase Compound ID Brz1mVShBtB
InChI InChI=1S/C21H19NO8/c1-26-14-5-4-12(21(25)28-3)17(18(14)27-2)20(24)22-7-6-11-8-15-16(30-10-29-15)9-13(11)19(22)23/h4-5,8-9H,6-7,10H2,1-3H3
InChIKey HFMTVMDMZDGVHG-UHFFFAOYSA-N
Mol Weight 413.38 g/mol
Molecular Formula C21H19NO8
Exact Mass 413.111067 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49Pk6Fbika1
Name 2-(5-keto-7,8-dihydro-[1,3]dioxol[4,5-g]isoquinoline-6-carbonyl)-3,4-dimethoxy-benzoic acid methyl ester
CAS Registry Number 66054-88-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO8
InChI InChI=1S/C21H19NO8/c1-26-14-5-4-12(21(25)28-3)17(18(14)27-2)20(24)22-7-6-11-8-15-16(30-10-29-15)9-13(11)19(22)23/h4-5,8-9H,6-7,10H2,1-3H3
InChIKey HFMTVMDMZDGVHG-UHFFFAOYSA-N
Molecular Weight 413.382 g/mol
SMILES C(N1C(c2cc3OCOc3cc2CC1)=O)(c1c(C(=O)OC)ccc(c1OC)OC)=O
SPLASH splash10-01vo-0953300000-47c7de543b730b11d3b2
Source of Spectrum J-44-4342-0
Synonyms 3,4-Dimethoxy-2-[oxo-(5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)methyl]benzoic acid methyl ester Methyl 3,4-dimethoxy-2-(5-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline-6-carbonyl)benzoate Methyl 3,4-dimethoxy-2-[(5-oxidanylidene-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-yl)carbonyl]benzoate
Wiley ID 1374983