| SpectraBase Compound ID | ERFPho3SqLt |
|---|---|
| InChI | InChI=1S/C16H14O4/c1-12(17)19-11-16(18)20-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | NWAMLWSESLZLPH-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 | FMbuSbPKvsU |
|---|---|
| Name | Acetoxyacetic acid, 2-biphenyl ester |
| 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/c1-12(17)19-11-16(18)20-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10H,11H2,1H3 |
| InChIKey | NWAMLWSESLZLPH-UHFFFAOYSA-N |
| SMILES | C(COC(C)=O)(OC1=CC=CC=C1C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959918 |