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7-Benzyl-6-iodopurine

View entire compound with spectra: 1 MS (GC)

7-Benzyl-6-iodopurine
SpectraBase Compound ID EqxTJRtKpeg
InChI InChI=1S/C12H9IN4/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 APSYMXNPQNSFKC-UHFFFAOYSA-N
Mol Weight 336.14 g/mol
Molecular Formula C12H9IN4
Exact Mass 335.987191 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iOGeHLcXML
Name 7-Benzyl-6-iodopurine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9IN4
InChI InChI=1S/C12H9IN4/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 APSYMXNPQNSFKC-UHFFFAOYSA-N
Molecular Weight 336.136 g/mol
SMILES c12[n](cnc2ncnc1I)Cc1ccccc1
SPLASH splash10-0a4l-9273000000-02f827438dd39aade97c
Source of Spectrum F-50-9755-10
Synonyms 6-iodanyl-7-(phenylmethyl)purine 6-iodo-7-(phenylmethyl)purine
Wiley ID 1331998