| SpectraBase Compound ID | KwwwcDwxNhC |
|---|---|
| InChI | InChI=1S/2C9H13N3.CH2O3/c2*1-2-7-3-5-8(6-4-7)12-9(10)11;2-1(3)4/h2*3-6H,2H2,1H3,(H4,10,11,12);(H2,2,3,4) |
| InChIKey | LAJKXDKJFUYFSI-UHFFFAOYSA-N |
| Mol Weight | 388.47 g/mol |
| Molecular Formula | C19H28N6O3 |
| Exact Mass | 388.222289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7qnnq8AVbl9 |
|---|---|
| Name | (p-Ethylphenyl)guanidine, carbonate(2:1) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.222288783 u |
| Formula | C19H28N6O3 |
| InChI | InChI=1S/2C9H13N3.CH2O3/c2*1-2-7-3-5-8(6-4-7)12-9(10)11;2-1(3)4/h2*3-6H,2H2,1H3,(H4,10,11,12);(H2,2,3,4) |
| InChIKey | LAJKXDKJFUYFSI-UHFFFAOYSA-N |
| SMILES | OC(=O)O.N(C1=CC=C(C=C1)CC)C(N)=N.N(C1=CC=C(C=C1)CC)C(N)=N |