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9-Benzyl-6-chloropurine

View entire compound with spectra: 3 MS (GC)

9-Benzyl-6-chloropurine
SpectraBase Compound ID SorxgcxHqL
InChI InChI=1S/C12H9ClN4/c13-11-10-12(15-7-14-11)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey NKEFCVAMNJICJZ-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 3zMm2MgbRI
Name 9-Benzyl-6-chloropurine
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)17(8-16-10)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2
InChIKey NKEFCVAMNJICJZ-UHFFFAOYSA-N
Molecular Weight 244.685 g/mol
SMILES c12[n](cnc2c(Cl)ncn1)Cc1ccccc1
SPLASH splash10-0006-4190000000-7d5b46c5f430c391a996
Source of Spectrum AF-48-718-21
Synonyms 6-Chloranyl-9-(phenylmethyl)purine 9-Benzyl-6-chloro-9H-purine 6-Chloro-9-(phenylmethyl)purine 9-Benzyl-6-chloro-purine
Wiley ID 1693849