| SpectraBase Compound ID | Ncmw5PtSgn |
|---|---|
| InChI | InChI=1S/C16H12O2S/c17-16(11-15-6-3-9-19-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2 |
| InChIKey | BRWGECRHSRQMIQ-UHFFFAOYSA-N |
| Mol Weight | 268.33 g/mol |
| Molecular Formula | C16H12O2S |
| Exact Mass | 268.055801 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4MhrUocU59g |
|---|---|
| Name | 2-Thiopheneacetic acid, 2-naphthyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.055800798 u |
| Formula | C16H12O2S |
| InChI | InChI=1S/C16H12O2S/c17-16(11-15-6-3-9-19-15)18-14-8-7-12-4-1-2-5-13(12)10-14/h1-10H,11H2 |
| InChIKey | BRWGECRHSRQMIQ-UHFFFAOYSA-N |
| SMILES | C1=CC2=CC(OC(CC=3SC=CC3)=O)=CC=C2C=C1 |