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7-Benzyl-6-chloro-9H-purine
SpectraBase Compound ID LxGc1xxbqK5
InChI InChI=1S/C12H9ClN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey QOJVQOWYMWBZNC-UHFFFAOYSA-N
Mol Weight 244.68 g/mol
Molecular Formula C12H9ClN4
Exact Mass 244.051574 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hhff0XQoYOv
Name 7-Benzyl-6-chloro-9H-purine
CAS Registry Number 1928-77-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9ClN4
InChI InChI=1S/C12H9ClN4/c13-11-10-12(15-7-14-11)16-8-17(10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey QOJVQOWYMWBZNC-UHFFFAOYSA-N
Molecular Weight 244.685 g/mol
SMILES c12[n](cnc2ncnc1Cl)Cc1ccccc1
SPLASH splash10-0006-8190000000-970b6770c0d04880d40a
Source of Spectrum AF-48-718-22
Synonyms 7-Benzyl-6-chloropurine 7H-Purine, 7-benzyl-6-chloro- 6-Chloranyl-7-(phenylmethyl)purine 6-Chloro-7-(phenylmethyl)purine 6-Chloro-7-benzylpurine 7-Benzyl-6-chloro-7H-purine 7-Benzyl-6-chloro-purine
Wiley ID 1693848