| SpectraBase Compound ID | EIG9iZEsORW |
|---|---|
| InChI | InChI=1S/C12H11ClO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h1,4-7,9H,8H2,2H3 |
| InChIKey | NAZJGJYUQCSYDH-UHFFFAOYSA-N |
| Mol Weight | 222.67 g/mol |
| Molecular Formula | C12H11ClO2 |
| Exact Mass | 222.044757 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 | 5SZzFunTNxI |
|---|---|
| Name | Benzeneacetic acid, 4-chloro-, but-3-yn-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.044757292 u |
| Formula | C12H11ClO2 |
| InChI | InChI=1S/C12H11ClO2/c1-3-9(2)15-12(14)8-10-4-6-11(13)7-5-10/h1,4-7,9H,8H2,2H3 |
| InChIKey | NAZJGJYUQCSYDH-UHFFFAOYSA-N |
| Molecular Weight | 222.671 g/mol |
| SMILES | C(OC(C#C)C)(CC=1C=CC(=CC1)Cl)=O |