| SpectraBase Compound ID | 8E44bNbVpk7 |
|---|---|
| InChI | InChI=1S/C18H16O3/c1-13(19)20-17-12-18(2,14-8-4-3-5-9-14)21-16-11-7-6-10-15(16)17/h3-12H,1-2H3 |
| InChIKey | KZQJEFICGJOAOD-UHFFFAOYSA-N |
| Mol Weight | 280.32 g/mol |
| Molecular Formula | C18H16O3 |
| Exact Mass | 280.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | eEv0sjTh9B |
|---|---|
| Name | 4-Acetoxy-2-methyl-2-phenylbenzopyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.109944372 u |
| Formula | C18H16O3 |
| InChI | InChI=1S/C18H16O3/c1-13(19)20-17-12-18(2,14-8-4-3-5-9-14)21-16-11-7-6-10-15(16)17/h3-12H,1-2H3 |
| InChIKey | KZQJEFICGJOAOD-UHFFFAOYSA-N |
| SMILES | C1(=CC(C2=CC=CC=C2)(C)OC=2C1=CC=CC2)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9526 |