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2-Methyl-6-oxaellipticinium acetate
SpectraBase Compound ID 53LXxdTIhN5
InChI InChI=1S/C18H16NO.C2H4O2/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKey OATQJNXWSKQCBZ-UHFFFAOYSA-M
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HoehMMCYLMV
Name 2-Methyl-6-oxaellipticinium acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3
InChI InChI=1S/C18H16NO.C2H4O2/c1-11-15-10-19(3)9-8-13(15)12(2)18-17(11)14-6-4-5-7-16(14)20-18;1-2(3)4/h4-10H,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKey OATQJNXWSKQCBZ-UHFFFAOYSA-M
Molecular Weight 321.376 g/mol
SMILES C([O-])(=O)C.c12c(c(c3c[n+](C)ccc3c2C)C)c2ccccc2o1
SPLASH splash10-03di-0090000000-6599452d0e5fc21d1a1f
Source of Spectrum E1-37-2188-20
Synonyms 2-N-Methyl-6-oxaellipticinium acetate 2,5,11-trimethyl-[1]benzofuro[2,3-g]isoquinolin-2-ium;acetate 2,5,11-trimethylbenzofuro[2,3-g]isoquinolin-2-ium;acetate 2,5,11-trimethyl-[1]benzofuro[2,3-g]isoquinolin-2-ium;ethanoate
Wiley ID 1575173