| SpectraBase Compound ID | 9c5pn48Kxh5 |
|---|---|
| InChI | InChI=1S/C11H11ClO3/c1-7(13)8(2)15-11(14)9-4-3-5-10(12)6-9/h3-6,8H,1-2H3 |
| InChIKey | YXSJHBJFQZIWCD-UHFFFAOYSA-N |
| Mol Weight | 226.66 g/mol |
| Molecular Formula | C11H11ClO3 |
| Exact Mass | 226.039672 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 8ZOLdtOs39a |
|---|---|
| Name | 3-Oxobutan-2-yl 3-chlorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.039671911 u |
| Formula | C11H11ClO3 |
| InChI | InChI=1S/C11H11ClO3/c1-7(13)8(2)15-11(14)9-4-3-5-10(12)6-9/h3-6,8H,1-2H3 |
| InChIKey | YXSJHBJFQZIWCD-UHFFFAOYSA-N |
| Molecular Weight | 226.659 g/mol |
| SMILES | CC(OC(=O)C1=CC(=CC=C1)Cl)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979072 |