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5-Flouroanabaseine monopicrate
SpectraBase Compound ID J3P1vxjCwCs
InChI InChI=1S/C10H11FN2.C6H3N3O7/c11-10-4-9(6-13-7-10)8-2-1-3-12-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,1-3H2;1-2,10H
InChIKey YZQRWLIPRYZOQF-UHFFFAOYSA-N
Mol Weight 407.31 g/mol
Molecular Formula C16H14FN5O7
Exact Mass 407.087726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lXs68ZGhQ8
Name 5-Flouroanabaseine monopicrate
CAS Registry Number 68258-32-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14FN5O7
InChI InChI=1S/C10H11FN2.C6H3N3O7/c11-10-4-9(6-13-7-10)8-2-1-3-12-5-8;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,1-3H2;1-2,10H
InChIKey YZQRWLIPRYZOQF-UHFFFAOYSA-N
Molecular Weight 407.314 g/mol
SMILES C1=NCCCC1c1cc(F)cnc1.Oc1c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O
SPLASH splash10-004j-0900000000-06b41e428d298940b881
Source of Spectrum J-44-167-0
Synonyms 2,4,6-trinitrophenol; 3-fluoro-5-(3,4,5,6-tetrahydropyridin-3-yl)pyridine 5-Fluoroanabaseine monopicrate
Wiley ID 1372492