![4-[(4,6-Dimethyl-2-pyrimidinyl)amino]butanoic acid, tms derivative](/api/spectrum/BtHEFRE0q54/structure.png?h=300&w=458 "4-[(4,6-Dimethyl-2-pyrimidinyl)amino]butanoic acid, tms derivative")
| SpectraBase Compound ID | 5I2Ylh5XhTm |
|---|---|
| InChI | InChI=1S/C13H23N3O2Si/c1-10-9-11(2)16-13(15-10)14-8-6-7-12(17)18-19(3,4)5/h9H,6-8H2,1-5H3,(H,14,15,16) |
| InChIKey | MPXAETWYRUWSSW-UHFFFAOYSA-N |
| Mol Weight | 281.43 g/mol |
| Molecular Formula | C13H23N3O2Si |
| Exact Mass | 281.155954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BtHEFRE0q54 |
|---|---|
| Name | 4-[(4,6-Dimethyl-2-pyrimidinyl)amino]butanoic acid, tms derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.155953526 u |
| Formula | C13H23N3O2Si |
| InChI | InChI=1S/C13H23N3O2Si/c1-10-9-11(2)16-13(15-10)14-8-6-7-12(17)18-19(3,4)5/h9H,6-8H2,1-5H3,(H,14,15,16) |
| InChIKey | MPXAETWYRUWSSW-UHFFFAOYSA-N |
| Molecular Weight | 281.431 g/mol |
| SMILES | C(CCCNC1=NC(C)=CC(C)=N1)(=O)O[Si](C)(C)C |