![(4-Allylamino-6-chloro-[1,3,5]triazin-2-ylamino)-acetic acid ethyl ester](/api/spectrum/1ImHJxxCJm1/structure.png?h=300&w=458 "(4-Allylamino-6-chloro-[1,3,5]triazin-2-ylamino)-acetic acid ethyl ester")
| SpectraBase Compound ID | CchUJDMyJui |
|---|---|
| InChI | InChI=1S/C10H14ClN5O2/c1-3-5-12-9-14-8(11)15-10(16-9)13-6-7(17)18-4-2/h3H,1,4-6H2,2H3,(H2,12,13,14,15,16) |
| InChIKey | VVBRHPNJZBKBLK-UHFFFAOYSA-N |
| Mol Weight | 271.71 g/mol |
| Molecular Formula | C10H14ClN5O2 |
| Exact Mass | 271.083602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1ImHJxxCJm1 |
|---|---|
| Name | (4-Allylamino-6-chloro-[1,3,5]triazin-2-ylamino)-acetic acid ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.083602409 u |
| Formula | C10H14ClN5O2 |
| InChI | InChI=1S/C10H14ClN5O2/c1-3-5-12-9-14-8(11)15-10(16-9)13-6-7(17)18-4-2/h3H,1,4-6H2,2H3,(H2,12,13,14,15,16) |
| InChIKey | VVBRHPNJZBKBLK-UHFFFAOYSA-N |
| Molecular Weight | 271.708 g/mol |
| SMILES | CCOC(=O)CNC1=NC(Cl)=NC(NCC=C)=N1 |