| SpectraBase Compound ID | IfHPlEKpCdg |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12-/m0/s1 |
| InChIKey | MMNMSAAGHXFXBR-RYUDHWBXSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CIAJC7Itlrb |
|---|---|
| Name | (2S,3S)-2-(Phenoxymethyl)-3-propyloxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-2-6-11-12(14-11)9-13-10-7-4-3-5-8-10/h3-5,7-8,11-12H,2,6,9H2,1H3/t11-,12-/m0/s1 |
| InChIKey | MMNMSAAGHXFXBR-RYUDHWBXSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | [C@@]1(O[C@]1(CCC)[H])(COC1=CC=CC=C1)[H] |