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4-(6-Amino-1H-purin-8-yl)butanoic acid
SpectraBase Compound ID 29IQhwn3hec
InChI InChI=1S/C9H11N5O2/c10-8-7-9(12-4-11-8)14-5(13-7)2-1-3-6(15)16/h4H,1-3H2,(H,15,16)(H3,10,11,12,13,14)
InChIKey PARGJUBOWZFJNQ-UHFFFAOYSA-N
Mol Weight 221.22 g/mol
Molecular Formula C9H11N5O2
Exact Mass 221.091275 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AyzbgcOuxhs
Name 4-(6-Amino-1H-purin-8-yl)butanoic acid
CAS Registry Number 41785-03-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N5O2
InChI InChI=1S/C9H11N5O2/c10-8-7-9(12-4-11-8)14-5(13-7)2-1-3-6(15)16/h4H,1-3H2,(H,15,16)(H3,10,11,12,13,14)
InChIKey PARGJUBOWZFJNQ-UHFFFAOYSA-N
Molecular Weight 221.220 g/mol
SMILES Nc1ncnc2c1nc(CCCC(=O)O)[nH]2
SPLASH splash10-03dj-7900000000-ffa0f5bc0105af146d6c
Source of Spectrum HE-1986-1382-0
Synonyms 1H-Purine-8-butanoic acid, 6-amino- 4-(6-amino-7H-purin-8-yl)butanoic acid 4-(6-amino-7H-purin-8-yl)butyric acid 4-(6-Amino-9H-purin-8-yl)butanoic acid 4-(6-azanyl-7H-purin-8-yl)butanoic acid
Wiley ID 1221053