| SpectraBase Compound ID | 5p6MIIgFJcS |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | QVLFQIDGIUBVLT-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ADvg6lrbLrq |
|---|---|
| Name | but-3-Ynyl benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.068079560 u |
| Formula | C11H10O2 |
| InChI | InChI=1S/C11H10O2/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h1,4-8H,3,9H2 |
| InChIKey | QVLFQIDGIUBVLT-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OCCC#C |