SpectraBase Compound ID | ElkLEAz0vDk |
---|---|
InChI | InChI=1S/C9H10N4O3/c14-6(15)2-1-3-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,1-3H2,(H,14,15)(H,10,11,16) |
InChIKey | PXAXEZXPFMUCBM-UHFFFAOYSA-N |
Mol Weight | 222.2 g/mol |
Molecular Formula | C9H10N4O3 |
Exact Mass | 222.07529 g/mol |
SpectraBase Spectrum ID | DIHsUEbAJax |
---|---|
Name | 4-[1,6-Dihydro-6-oxopurin-9-yl]butyric acid |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 222.075290195 u |
Formula | C9H10N4O3 |
InChI | InChI=1S/C9H10N4O3/c14-6(15)2-1-3-13-5-12-7-8(13)10-4-11-9(7)16/h4-5H,1-3H2,(H,14,15)(H,10,11,16) |
InChIKey | PXAXEZXPFMUCBM-UHFFFAOYSA-N |
Molecular Weight | 222.204 g/mol |
SMILES | C12=C(C(NC=N2)=O)N=CN1CCCC(=O)O |