| SpectraBase Compound ID | BMwNNAzp5vK |
|---|---|
| InChI | InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12) |
| InChIKey | FNYXJOYPHLKLRW-UHFFFAOYSA-N |
| Mol Weight | 168.2 g/mol |
| Molecular Formula | C7H12N4O |
| Exact Mass | 168.101111 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | hSied6bnH6 |
|---|---|
| Name | Caffeidine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12N4O |
| InChI | InChI=1S/C7H12N4O/c1-8-6-5(7(12)9-2)11(3)4-10-6/h4,8H,1-3H3,(H,9,12) |
| InChIKey | FNYXJOYPHLKLRW-UHFFFAOYSA-N |
| Molecular Weight | 168.200 g/mol |
| SMILES | N(c1c(C(=O)NC)[n](cn1)C)C |
| SPLASH | splash10-014i-0900000000-76bf5afb65150547cdee |
| Source of Spectrum | CRT-6-52-4 |
| Synonyms | N,3-dimethyl-5-(methylamino)-4-imidazolecarboxamide |
| Wiley ID | 1709382 |