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4',5'-Demethoxy-aristoyagonine
SpectraBase Compound ID Az2goFHRmnA
InChI InChI=1S/C17H13NO3/c1-18-12-9-10-5-3-4-6-13(10)21-16-14(20-2)8-7-11(15(12)16)17(18)19/h3-9H,1-2H3
InChIKey HYEPRDMPGRTSGO-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9FY9tkg1S6C
Name 4',5'-Demethoxy-aristoyagonine
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.089543280 u
Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-18-12-9-10-5-3-4-6-13(10)21-16-14(20-2)8-7-11(15(12)16)17(18)19/h3-9H,1-2H3
InChIKey HYEPRDMPGRTSGO-UHFFFAOYSA-N
Instrument Name HP-MS 5988A or Kratos MS 50
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.508
Molecular Weight 279.295 g/mol
SMILES C1=CC2=C3C(=C1OC)OC1=C(C=C3N(C2=O)C)C=CC=C1
SPLASH splash10-004i-0090000000-4778d62394ff8c05a894
Source of Spectrum ARK-2002-71-8c (DOI: 10.3998/ark.5550190.0003.508)
Wiley ID 1904701