| SpectraBase Compound ID | 72ViL2lpVER |
|---|---|
| InChI | InChI=1S/C12H14O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-3,8H,4-7H2,(H,13,14)(H,15,16) |
| InChIKey | DIVRAHZSTAIUNB-UHFFFAOYSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BLGZCHjGvBv |
|---|---|
| Name | m-Benzenedipropionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c13-11(14)6-4-9-2-1-3-10(8-9)5-7-12(15)16/h1-3,8H,4-7H2,(H,13,14)(H,15,16) |
| InChIKey | DIVRAHZSTAIUNB-UHFFFAOYSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | OC(CCC=1C=CC=C(CCC(O)=O)C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.837499 |