![5-Thiazolecarboxylic acid, 2-[(aminoiminomethyl)amino]-4-phenyl-, ethyl ester](/api/spectrum/JWrGPeg7ynd/structure.png?h=300&w=458 "5-Thiazolecarboxylic acid, 2-[(aminoiminomethyl)amino]-4-phenyl-, ethyl ester")
| SpectraBase Compound ID | 3G2cjEFGjwK |
|---|---|
| InChI | InChI=1S/C13H14N4O2S/c1-2-19-11(18)10-9(8-6-4-3-5-7-8)16-13(20-10)17-12(14)15/h3-7H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey | VJTDRUNGAZKTJU-UHFFFAOYSA-N |
| Mol Weight | 290.34 g/mol |
| Molecular Formula | C13H14N4O2S |
| Exact Mass | 290.083747 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JWrGPeg7ynd |
|---|---|
| Name | 5-Thiazolecarboxylic acid, 2-[(aminoiminomethyl)amino]-4-phenyl-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.083746879 u |
| Formula | C13H14N4O2S |
| InChI | InChI=1S/C13H14N4O2S/c1-2-19-11(18)10-9(8-6-4-3-5-7-8)16-13(20-10)17-12(14)15/h3-7H,2H2,1H3,(H4,14,15,16,17) |
| InChIKey | VJTDRUNGAZKTJU-UHFFFAOYSA-N |
| SMILES | N(C=1SC(=C(N1)C1=CC=CC=C1)C(=O)OCC)C(=N)N |