| SpectraBase Compound ID | GC2EtrQMzL3 |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-3-5-6-7-8-12-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | QVGDVJSCRGIGEX-AATRIKPKSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7pD9vp3U6m7 |
|---|---|
| Name | Ethyl (E)-hex-3-enyl carbonate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-3-5-6-7-8-12-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | QVGDVJSCRGIGEX-AATRIKPKSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)(OCC)OCC\C=C\CC |