| SpectraBase Compound ID | AYkC0X6aCs0 |
|---|---|
| InChI | InChI=1S/C16H14O4/c1-19-15(17)13-7-9-14(10-8-13)16(18)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | NEFCMDOIYRHQKB-UHFFFAOYSA-N |
| Mol Weight | 270.28 g/mol |
| Molecular Formula | C16H14O4 |
| Exact Mass | 270.089209 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BTCZCSNF56W |
|---|---|
| Name | Benzyl methyl terephthalate |
| 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/c1-19-15(17)13-7-9-14(10-8-13)16(18)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | NEFCMDOIYRHQKB-UHFFFAOYSA-N |
| SMILES | C(OC(=O)C1=CC=C(C=C1)C(OC)=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937556 |