![1-methylol-3a,4,6,6a-tetrahydro-3H-imidazo[5,4-d]imidazole-2,5-quinone](/api/spectrum/LHxa7eW5T4H/structure.png?h=300&w=458 "1-methylol-3a,4,6,6a-tetrahydro-3H-imidazo[5,4-d]imidazole-2,5-quinone")
| SpectraBase Compound ID | Ljw1CmTdZVr |
|---|---|
| InChI | InChI=1S/C5H8N4O3/c10-1-9-3-2(7-5(9)12)6-4(11)8-3/h2-3,10H,1H2,(H,7,12)(H2,6,8,11) |
| InChIKey | CLVKBGZVUXGBGH-UHFFFAOYSA-N |
| Mol Weight | 172.14 g/mol |
| Molecular Formula | C5H8N4O3 |
| Exact Mass | 172.05964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHxa7eW5T4H |
|---|---|
| Name | 1-Hydroxymethyl-tetrahydro-imidazo(4,5-D)imidazole-2,5-dione |
| CAS Registry Number | 94852-50-3 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C5H8N4O3 |
| InChI | InChI=1S/C5H8N4O3/c10-1-9-3-2(7-5(9)12)6-4(11)8-3/h2-3,10H,1H2,(H,7,12)(H2,6,8,11) |
| InChIKey | CLVKBGZVUXGBGH-UHFFFAOYSA-N |
| Instrument Name | Bruker AM-270 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |