| SpectraBase Compound ID | 8esVNkpaV54 |
|---|---|
| InChI | InChI=1S/C12H13NO3S/c1-3-15-11(14)8(2)17-12-13-9-6-4-5-7-10(9)16-12/h4-8H,3H2,1-2H3 |
| InChIKey | IGSYXGBADIWAKZ-UHFFFAOYSA-N |
| Mol Weight | 251.3 g/mol |
| Molecular Formula | C12H13NO3S |
| Exact Mass | 251.061614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2wUsc6Eu3B |
|---|---|
| Name | 2-(Benzooxazol-2-ylsulfanyl)-propionic acid, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.061614454 u |
| Formula | C12H13NO3S |
| InChI | InChI=1S/C12H13NO3S/c1-3-15-11(14)8(2)17-12-13-9-6-4-5-7-10(9)16-12/h4-8H,3H2,1-2H3 |
| InChIKey | IGSYXGBADIWAKZ-UHFFFAOYSA-N |
| Molecular Weight | 251.300 g/mol |
| SMILES | C1=CC=CC2=C1N=C(O2)SC(C(OCC)=O)C |