| SpectraBase Compound ID | 5XN1vMyZLfT |
|---|---|
| InChI | InChI=1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3 |
| InChIKey | BOQCORYQJJYJTF-UHFFFAOYSA-N |
| Mol Weight | 300.31 g/mol |
| Molecular Formula | C17H16O5 |
| Exact Mass | 300.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BU9dT5l9gA1 |
|---|---|
| Name | Dimethyl 5-benzyloxyisophthalate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.099773610 u |
| Formula | C17H16O5 |
| InChI | InChI=1S/C17H16O5/c1-20-16(18)13-8-14(17(19)21-2)10-15(9-13)22-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3 |
| InChIKey | BOQCORYQJJYJTF-UHFFFAOYSA-N |
| SMILES | C(C=1C=C(C(=O)OC)C=C(C1)OCC=1C=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972528 |