| SpectraBase Compound ID | L4C72rIj31Z |
|---|---|
| InChI | InChI=1S/C16H14O4/c17-15(18)9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20) |
| InChIKey | IXBKIGKDLZRRAL-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GfATfeZ8h7T |
|---|---|
| Name | 2,2'-Biphenyldiacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.089208927 u |
| Formula | C16H14O4 |
| InChI | InChI=1S/C16H14O4/c17-15(18)9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-16(19)20/h1-8H,9-10H2,(H,17,18)(H,19,20) |
| InChIKey | IXBKIGKDLZRRAL-UHFFFAOYSA-N |
| SMILES | OC(CC=1C(C=2C=CC=CC2CC(=O)O)=CC=CC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.959028 |