| SpectraBase Compound ID | 6MojrSPQXFm |
|---|---|
| InChI | InChI=1S/C11H13N3O3S/c1-16-11(15)9-8(13)7(6-12)10(18-9)14-2-4-17-5-3-14/h2-5,13H2,1H3 |
| InChIKey | UMWBBCVVNXMNIW-UHFFFAOYSA-N |
| Mol Weight | 267.3 g/mol |
| Molecular Formula | C11H13N3O3S |
| Exact Mass | 267.067762 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRbwVnkpGk1 |
|---|---|
| Name | 3-Amino-4-cyano-5-morpholino-2-thiophenecarboxylic acid, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 267.067762462 u |
| Formula | C11H13N3O3S |
| InChI | InChI=1S/C11H13N3O3S/c1-16-11(15)9-8(13)7(6-12)10(18-9)14-2-4-17-5-3-14/h2-5,13H2,1H3 |
| InChIKey | UMWBBCVVNXMNIW-UHFFFAOYSA-N |
| SMILES | NC1=C(SC(=C1C#N)N1CCOCC1)C(OC)=O |