| SpectraBase Compound ID | L4unuIhURJ0 |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3 |
| InChIKey | BSIHKPKFKFMVPH-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 | 6BASTg4fU94 |
|---|---|
| Name | 4-Methylbenzoic acid, propargyl ester |
| 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/c1-3-8-13-11(12)10-6-4-9(2)5-7-10/h1,4-7H,8H2,2H3 |
| InChIKey | BSIHKPKFKFMVPH-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C1=CC(=CC=C1C(OCC#C)=O)C |