| SpectraBase Compound ID | 1xr8jywUHP |
|---|---|
| InChI | InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16) |
| InChIKey | YBIRDHJXPIORJB-UHFFFAOYSA-N |
| Mol Weight | 244.25 g/mol |
| Molecular Formula | C12H12N4O2 |
| Exact Mass | 244.096026 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IYkBHTucWvD |
|---|---|
| Name | 2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.096025640 u |
| Formula | C12H12N4O2 |
| InChI | InChI=1S/C12H12N4O2/c13-11-8(5-15-12(14)16-11)3-7-1-2-9-10(4-7)18-6-17-9/h1-2,4-5H,3,6H2,(H4,13,14,15,16) |
| InChIKey | YBIRDHJXPIORJB-UHFFFAOYSA-N |
| Molecular Weight | 244.254 g/mol |
| SMILES | C1(=CC=2OCOC2C=C1)CC1=CN=C(N=C1N)N |