| SpectraBase Spectrum ID |
EoqDpVxKQp8 |
| Name |
1,3-Dimethylurea |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
96-31-1 |
| Comments |
100 mM 1,3-Dimethylurea - vendor: Acros 116910050; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C3H8N2O |
| IUPAC Name |
1,3-dimethylurea |
| InChI |
InChI=1S/C3H8N2O/c1-4-3(6)5-2/h1-2H3,(H2,4,5,6) |
| InChIKey |
MGJKQDOBUOMPEZ-UHFFFAOYSA-N |
| PubChem Compound ID |
7293 |
| SMILES |
CNC(=O)NC |
| Source File Reference |
bmse000248 |
