| SpectraBase Compound ID | CFfBp3HI8nl |
|---|---|
| InChI | InChI=1S/C9H9N5O2/c1-12-5(4-10)11-7-6(12)8(15)14(3)9(16)13(7)2/h1-3H3 |
| InChIKey | LYHFEJUGBVVGIC-UHFFFAOYSA-N |
| Mol Weight | 219.2 g/mol |
| Molecular Formula | C9H9N5O2 |
| Exact Mass | 219.075625 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 62gUEipI72w |
|---|---|
| Name | 1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile |
| Alternate Name(s) | 1,3,7-trimethyl-2,6-bis(oxidanylidene)purine-8-carbonitrile 1,3,7-trimethyl-2,6-dioxo-8-purinecarbonitrile 1,3,7-trimethyl-2,6-dioxo-purine-8-carbonitrile 1H-Purine-8-carbonitrile, 2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo- 2,6-Diketo-1,3,7-trimethyl-purine-8-carbonitrile |
| CAS Registry Number | 89588-28-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9N5O2 |
| InChI | InChI=1S/C9H9N5O2/c1-12-5(4-10)11-7-6(12)8(15)14(3)9(16)13(7)2/h1-3H3 |
| InChIKey | LYHFEJUGBVVGIC-UHFFFAOYSA-N |
| Molecular Weight | 219.204 g/mol |
| SMILES | c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)C#N |
| SPLASH | splash10-0159-9750000000-1f4203c186e27abad8d6 |
| Source of Spectrum | AD-0-2532-0 |
| Wiley ID | 1430725 |