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Nigellimine - N-oxide

View entire compound with spectra: 1 MS (GC)

Nigellimine - N-oxide
SpectraBase Compound ID 99cmvrJmjxk
InChI InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3
InChIKey GVQWAJKTFATJEW-UHFFFAOYSA-N
Mol Weight 219.24 g/mol
Molecular Formula C12H13NO3
Exact Mass 219.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5nmhHtaGBb
Name Nigellimine - N-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3
InChI InChI=1S/C12H13NO3/c1-8-10-7-12(16-3)11(15-2)6-9(10)4-5-13(8)14/h4-7H,1-3H3
InChIKey GVQWAJKTFATJEW-UHFFFAOYSA-N
Molecular Weight 219.240 g/mol
SMILES c1([n+](ccc2cc(c(cc12)OC)OC)[O-])C
SPLASH splash10-0udi-1490000000-75191722357bf940bcc3
Source of Spectrum X2-49-753-31
Synonyms 1-Methyl-6,7-dimethoxy-isoquinoline-N-Oxide 6,7-Dimethoxy-1-methylisoquinoline 2-oxide 6,7-Dimethoxy-1-methyl-2-oxidoisoquinolin-2-ium 6,7-Dimethoxy-1-methyl-2-oxidanidyl-isoquinolin-2-ium
Wiley ID 1602006