| SpectraBase Compound ID | AeDE2eIMvSc |
|---|---|
| InChI | InChI=1S/C11H13ClO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14) |
| InChIKey | UYYNOIVMWZJAJV-UHFFFAOYSA-N |
| Mol Weight | 212.68 g/mol |
| Molecular Formula | C11H13ClO2 |
| Exact Mass | 212.060407 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JC1wTD7Ks2e |
|---|---|
| Name | Benzenepentanoic acid, 4-chloro-; valeric acid, 5-(4-chlorophenyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.060407357 u |
| Formula | C11H13ClO2 |
| InChI | InChI=1S/C11H13ClO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14) |
| InChIKey | UYYNOIVMWZJAJV-UHFFFAOYSA-N |
| Molecular Weight | 212.676 g/mol |
| SMILES | OC(CCCCC1=CC=C(C=C1)Cl)=O |