| SpectraBase Compound ID | Ce3C1twGbk4 |
|---|---|
| InChI | InChI=1S/C12H14N2O3/c1-8(2)16-12-14-13-11(17-12)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3 |
| InChIKey | OTRHYNUPWHZXBT-UHFFFAOYSA-N |
| Mol Weight | 234.25 g/mol |
| Molecular Formula | C12H14N2O3 |
| Exact Mass | 234.100442 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Y6nwrofgij |
|---|---|
| Name | 2-Methoxyphenyl-5-ethoxy-isopropyloxy-1,3,4-oxadiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 234.100442316 u |
| Formula | C12H14N2O3 |
| InChI | InChI=1S/C12H14N2O3/c1-8(2)16-12-14-13-11(17-12)9-4-6-10(15-3)7-5-9/h4-8H,1-3H3 |
| InChIKey | OTRHYNUPWHZXBT-UHFFFAOYSA-N |
| Molecular Weight | 234.255 g/mol |
| SMILES | CC(C)OC=1OC(C2=CC=C(OC)C=C2)=NN1 |