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Xanthoxoline

View entire compound with spectra: 1 MS (GC)

Xanthoxoline
SpectraBase Compound ID 93kswVOyGXD
InChI InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17)
InChIKey CYPILPIHKOUTNO-UHFFFAOYSA-N
Mol Weight 271.27 g/mol
Molecular Formula C15H13NO4
Exact Mass 271.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71hGH5ONXVv
Name Xanthoxoline
Alternate Name(s) 1-Hydroxy-2,3-dimethoxy-9(10H)-acridinone 9-Acridanone, 1-hydroxy-2,3-dimethoxy- 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-
CAS Registry Number 17014-43-6
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13NO4
InChI InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17)
InChIKey CYPILPIHKOUTNO-UHFFFAOYSA-N
Molecular Weight 271.272 g/mol
SMILES N1c2c(C(c3c(c(c(cc13)OC)OC)O)=O)cccc2
SPLASH splash10-056r-0890000000-5f2cde2cdcdd2ef6c624
Source of Spectrum AD-0-2021-0
Wiley ID 1275253