| SpectraBase Compound ID | 6YfXypympih |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-3-4-5-9-7(2)6-8/h6-7H,5H2,1-2H3/t7-/m0/s1 |
| InChIKey | BOQACHNWJIBWQF-ZETCQYMHSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5prsjI88aEz |
|---|---|
| Name | (S)-2-(2-Butynyloxy)propanal |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-3-4-5-9-7(2)6-8/h6-7H,5H2,1-2H3/t7-/m0/s1 |
| InChIKey | BOQACHNWJIBWQF-ZETCQYMHSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C(#CC)CO[C@](C=O)(C)[H] |