| SpectraBase Compound ID | JALtFSZW4bk |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-3-7-13-11(12)10-6-4-5-9(2)8-10/h1,4-6,8H,7H2,2H3 |
| InChIKey | MSCGKEHDPNLYPN-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 | BlhepIofevc |
|---|---|
| Name | 3-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/c1-3-7-13-11(12)10-6-4-5-9(2)8-10/h1,4-6,8H,7H2,2H3 |
| InChIKey | MSCGKEHDPNLYPN-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(=O)(OCC#C)C=1C=CC=C(C)C1 |