| SpectraBase Compound ID | B4tQL6kSQzH |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-20-16(18)14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17(19)21-2/h3-10H,11H2,1-2H3 |
| InChIKey | FAFKIXPMYWNHGF-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | JZ2DatGpnhR |
|---|---|
| Name | 4,4'-Methylenedibenzoic acid, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-20-16(18)14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)17(19)21-2/h3-10H,11H2,1-2H3 |
| InChIKey | FAFKIXPMYWNHGF-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC(=C1)C(OC)=O)CC=1C=CC(=CC1)C(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.990488 |