| SpectraBase Compound ID | QtLQVExj1Q |
|---|---|
| InChI | InChI=1S/C11H10O2/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h1,4-9H,2H3 |
| InChIKey | MYTIXWPXZCCWOX-UHFFFAOYSA-N |
| Mol Weight | 174.2 g/mol |
| Molecular Formula | C11H10O2 |
| Exact Mass | 174.06808 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | I7iy1IwhKMH |
|---|---|
| Name | 1-Methylprop-2-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/c1-3-9(2)13-11(12)10-7-5-4-6-8-10/h1,4-9H,2H3 |
| InChIKey | MYTIXWPXZCCWOX-UHFFFAOYSA-N |
| Molecular Weight | 174.199 g/mol |
| SMILES | C(OC(C#C)C)(=O)C1=CC=CC=C1 |