| SpectraBase Compound ID | HC2G8a99zLu |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-4-7-11-9(10)12-8(5-2)6-3/h1,8H,5-7H2,2-3H3 |
| InChIKey | WJSQHJRVAAEYAF-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69yevFqfP8B |
|---|---|
| Name | Carbonic acid, propargyl 3-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-4-7-11-9(10)12-8(5-2)6-3/h1,8H,5-7H2,2-3H3 |
| InChIKey | WJSQHJRVAAEYAF-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(C#C)OC(OC(CC)CC)=O |