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DICHOTOMINE_XV
SpectraBase Compound ID 7cW9Gh7LLuF
InChI InChI=1S/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17)
InChIKey BQURACGVTWIJNT-UHFFFAOYSA-N
Mol Weight 228.21 g/mol
Molecular Formula C12H8N2O3
Exact Mass 228.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxMijsbHyVK
Name Dichotomine E
Appearance Yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8N2O3
InChI InChI=1S/C12H8N2O3/c15-11-10-7(5-9(14-11)12(16)17)6-3-1-2-4-8(6)13-10/h1-5,13H,(H,14,15)(H,16,17)
InChIKey BQURACGVTWIJNT-UHFFFAOYSA-N
Instrument Name VG 70-250S
Ionization Type EI
Literature Reference DOI 10.1021/np1003627
Molecular Weight 228.207 g/mol
Reported Formula C12H8N2O3
SMILES [nH]1c2c(cc(nc2O)C(=O)O)c2ccccc12
SPLASH splash10-002f-5920000000-1622894a39058df20b8f
Source of Spectrum G4-73-1998-13
Wiley ID 1848905