| SpectraBase Compound ID | Apj1l1Kdja |
|---|---|
| InChI | InChI=1S/C10H6O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,(H,12,13) |
| InChIKey | PLXLWOTXUMKDIO-UHFFFAOYSA-N |
| Mol Weight | 174.15 g/mol |
| Molecular Formula | C10H6O3 |
| Exact Mass | 174.031694 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KP8xWohfeLf |
|---|---|
| Name | 3-Butynoic acid, 2-oxo-4-phenyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.031694050 u |
| Formula | C10H6O3 |
| InChI | InChI=1S/C10H6O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5H,(H,12,13) |
| InChIKey | PLXLWOTXUMKDIO-UHFFFAOYSA-N |
| Molecular Weight | 174.155 g/mol |
| SMILES | OC(C(C#CC1=CC=CC=C1)=O)=O |