| SpectraBase Compound ID | CSoETSgPJTv |
|---|---|
| InChI | InChI=1S/C18H15NO3S/c1-12-8-10-14(11-9-12)23-18-15(17(20)21-2)19-16(22-18)13-6-4-3-5-7-13/h3-11H,1-2H3 |
| InChIKey | BDVLRCXJXYEAQX-UHFFFAOYSA-N |
| Mol Weight | 325.38 g/mol |
| Molecular Formula | C18H15NO3S |
| Exact Mass | 325.077265 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AKDgx9naeAz |
|---|---|
| Name | 2-Phenyl-5-(p-tolylthio)oxazole-4-carboxylic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.077264518 u |
| Formula | C18H15NO3S |
| InChI | InChI=1S/C18H15NO3S/c1-12-8-10-14(11-9-12)23-18-15(17(20)21-2)19-16(22-18)13-6-4-3-5-7-13/h3-11H,1-2H3 |
| InChIKey | BDVLRCXJXYEAQX-UHFFFAOYSA-N |
| Molecular Weight | 325.382 g/mol |
| SMILES | C1(=C(OC(=N1)C=1C=CC=CC1)SC1=CC=C(C=C1)C)C(=O)OC |