![Acetic acid 5-phenyl-[1,3,4]oxadiazol-2-ylmethyl ester](/api/spectrum/7n8bJfs7Bty/structure.png?h=300&w=458 "Acetic acid 5-phenyl-[1,3,4]oxadiazol-2-ylmethyl ester")
| SpectraBase Compound ID | JQqdHB7ZuFR |
|---|---|
| InChI | InChI=1S/C11H10N2O3/c1-8(14)15-7-10-12-13-11(16-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | QNYAKERLIPFGIA-UHFFFAOYSA-N |
| Mol Weight | 218.21 g/mol |
| Molecular Formula | C11H10N2O3 |
| Exact Mass | 218.069142 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7n8bJfs7Bty |
|---|---|
| Name | Acetic acid 5-phenyl-[1,3,4]oxadiazol-2-ylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.069142187 u |
| Formula | C11H10N2O3 |
| InChI | InChI=1S/C11H10N2O3/c1-8(14)15-7-10-12-13-11(16-10)9-5-3-2-4-6-9/h2-6H,7H2,1H3 |
| InChIKey | QNYAKERLIPFGIA-UHFFFAOYSA-N |
| Molecular Weight | 218.212 g/mol |
| SMILES | C(C=1OC(C=2C=CC=CC2)=NN1)OC(C)=O |