| SpectraBase Compound ID | JYpmsioAf0I |
|---|---|
| InChI | InChI=1S/C15H14O3/c1-17-14-9-5-8-13(10-14)15(16)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 |
| InChIKey | XWISGJMKZRCDQR-UHFFFAOYSA-N |
| Mol Weight | 242.27 g/mol |
| Molecular Formula | C15H14O3 |
| Exact Mass | 242.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UROH83mudf |
|---|---|
| Name | Benzyl-3-methoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.094294308 u |
| Formula | C15H14O3 |
| InChI | InChI=1S/C15H14O3/c1-17-14-9-5-8-13(10-14)15(16)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 |
| InChIKey | XWISGJMKZRCDQR-UHFFFAOYSA-N |
| Molecular Weight | 242.274 g/mol |
| SMILES | C=1(OC)C=C(C(=O)OCC2=CC=CC=C2)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802867 |