| SpectraBase Compound ID | ANGucZCTCQe |
|---|---|
| InChI | InChI=1S/C12H14Cl2O3/c13-10-6-5-9(8-11(10)14)17-7-3-1-2-4-12(15)16/h5-6,8H,1-4,7H2,(H,15,16) |
| InChIKey | MKXBFAGODKVBBR-UHFFFAOYSA-N |
| Mol Weight | 277.15 g/mol |
| Molecular Formula | C12H14Cl2O3 |
| Exact Mass | 276.032 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3L94yU07rcn |
|---|---|
| Name | Hexanoic acid, 6-(3,4-dichlorophenoxy)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.031999708 u |
| Formula | C12H14Cl2O3 |
| InChI | InChI=1S/C12H14Cl2O3/c13-10-6-5-9(8-11(10)14)17-7-3-1-2-4-12(15)16/h5-6,8H,1-4,7H2,(H,15,16) |
| InChIKey | MKXBFAGODKVBBR-UHFFFAOYSA-N |
| SMILES | OC(CCCCCOC=1C=C(C(=CC1)Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.860411 |