| SpectraBase Compound ID | HIe5S76XMKM |
|---|---|
| InChI | InChI=1S/C17H11NO4S/c19-16(12-7-9-18-10-8-12)21-13-4-1-2-5-14(13)22-17(20)15-6-3-11-23-15/h1-11H |
| InChIKey | KDLXRWHVQZDGFB-UHFFFAOYSA-N |
| Mol Weight | 325.34 g/mol |
| Molecular Formula | C17H11NO4S |
| Exact Mass | 325.040879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pVuBjeGmG6 |
|---|---|
| Name | 1,2-Benzenediol, o-isonicotinoyl-o'-(thiophene-2-carbonyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.040879008 u |
| Formula | C17H11NO4S |
| InChI | InChI=1S/C17H11NO4S/c19-16(12-7-9-18-10-8-12)21-13-4-1-2-5-14(13)22-17(20)15-6-3-11-23-15/h1-11H |
| InChIKey | KDLXRWHVQZDGFB-UHFFFAOYSA-N |
| Molecular Weight | 325.338 g/mol |
| SMILES | C1(=CC=CC=C1OC(C1=CC=CS1)=O)OC(=O)C1=CC=NC=C1 |