![2-[2-(3-Methoxyphenyl)ethyl]oxirane](/api/spectrum/KZXBiIAGEWU/structure.png?h=300&w=458 "2-[2-(3-Methoxyphenyl)ethyl]oxirane")
| SpectraBase Compound ID | 4qWBq2ldJ5q |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-12-10-4-2-3-9(7-10)5-6-11-8-13-11/h2-4,7,11H,5-6,8H2,1H3 |
| InChIKey | PMMHMEXXKVSZBD-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KZXBiIAGEWU |
|---|---|
| Name | 2-[2-(3-Methoxyphenyl)ethyl]oxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-12-10-4-2-3-9(7-10)5-6-11-8-13-11/h2-4,7,11H,5-6,8H2,1H3 |
| InChIKey | PMMHMEXXKVSZBD-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | C1(OC1)CCC=1C=C(OC)C=CC1 |