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Methyl isoanhydroberberilate
SpectraBase Compound ID XQhps8OnZi
InChI InChI=1S/C21H19NO8/c1-27-15-4-3-12(18(14(24)9-23)19(15)28-2)20(25)22-6-5-11-7-16-17(30-10-29-16)8-13(11)21(22)26/h3-4,7-8,23H,5-6,9-10H2,1-2H3
InChIKey SLFWMOGGLAZMTM-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 B1NlVolvzKC
Name Methyl isoanhydroberberilate
CAS Registry Number 65628-84-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO8
InChI InChI=1S/C21H19NO8/c1-27-15-4-3-12(18(14(24)9-23)19(15)28-2)20(25)22-6-5-11-7-16-17(30-10-29-16)8-13(11)21(22)26/h3-4,7-8,23H,5-6,9-10H2,1-2H3
InChIKey SLFWMOGGLAZMTM-UHFFFAOYSA-N
Molecular Weight 413.382 g/mol
SMILES OCC(c1c(C(N2C(c3cc4OCOc4cc3CC2)=O)=O)ccc(OC)c1OC)=O
SPLASH splash10-01x0-0359300000-6ce340d707602d4bb540
Source of Spectrum J-44-4341-0
Synonyms 6-(2-glycoloyl-3,4-dimethoxybenzoyl)-7,8-dihydro[1,3]dioxolo[4,5-g]isoquinolin-5(6H)-one
Wiley ID 1374982