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1H-Purin-6-amine, [(3-fluorophenyl)methyl]-
SpectraBase Compound ID JxlR24v2HWh
InChI InChI=1S/C12H10FN5/c13-8-3-1-2-7(4-8)5-9-17-10-11(14)15-6-16-12(10)18-9/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKey ORMDAOSDXMOMOV-UHFFFAOYSA-N
Mol Weight 243.25 g/mol
Molecular Formula C12H10FN5
Exact Mass 243.092024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4u2AzcUtu3s
Name 1H-Purin-6-amine, [(3-fluorophenyl)methyl]-
Alternate Name(s) 8-(3-fluorobenzyl)-1H-purin-6-amine 8-(3-fluorobenzyl)-1H-purin-6-ylamine
CAS Registry Number 74421-45-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10FN5
InChI InChI=1S/C12H10FN5/c13-8-3-1-2-7(4-8)5-9-17-10-11(14)15-6-16-12(10)18-9/h1-4,6H,5H2,(H3,14,15,16,17,18)
InChIKey ORMDAOSDXMOMOV-UHFFFAOYSA-N
Molecular Weight 243.245 g/mol
SMILES N1C=NC=2C(=C1N)N=C(N2)Cc1cc(F)ccc1
SPLASH splash10-0fk9-5950000000-fc179c864388fe4410fc
Source of Spectrum W5-21163-0-0
Wiley ID 1245936