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4',5'-Demethoxy-1,.alpha.-dihydro-aristoyagonine
SpectraBase Compound ID 69EjV60ivR7
InChI InChI=1S/C17H15NO3/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/h3-8,12H,9H2,1-2H3
InChIKey OJTDCOCMIBCDIK-UHFFFAOYSA-N
Mol Weight 281.31 g/mol
Molecular Formula C17H15NO3
Exact Mass 281.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WcFROGEBma
Name 4',5'-Demethoxy-1,.alpha.-dihydro-aristoyagonine
Appearance Yellow-brown crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO3
InChI InChI=1S/C17H15NO3/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/h3-8,12H,9H2,1-2H3
InChIKey OJTDCOCMIBCDIK-UHFFFAOYSA-N
Instrument Name HP-MS 5988A or Kratos MS 50
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0003.508
Quality 6
SMILES C1=CC2=C3C(=C1OC)OC1=C(CC3N(C2=O)C)C=CC=C1
SPLASH splash10-001i-0290000000-8f21e6e4c72061e59b0d
Source of Spectrum ARK-2002-71-12c (DOI: 10.3998/ark.5550190.0003.508)
Wiley ID 1904691