| SpectraBase Compound ID | 7dD2paRbjY7 |
|---|---|
| InChI | InChI=1S/C17H18O3/c1-13(2)12-19-17(18)20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | QWFZNDGQWHEJIV-UHFFFAOYSA-N |
| Mol Weight | 270.33 g/mol |
| Molecular Formula | C17H18O3 |
| Exact Mass | 270.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1r6wn4zLWcB |
|---|---|
| Name | Carbonic acid, 2-biphenyl isobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.125594437 u |
| Formula | C17H18O3 |
| InChI | InChI=1S/C17H18O3/c1-13(2)12-19-17(18)20-16-11-7-6-10-15(16)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3 |
| InChIKey | QWFZNDGQWHEJIV-UHFFFAOYSA-N |
| SMILES | C1=CC=C(C=C1)C1=C(OC(OCC(C)C)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921347 |