| SpectraBase Compound ID | KK4ynwVv0jD |
|---|---|
| InChI | InChI=1S/C17H16O4/c1-12(18)21-14-9-6-13(7-10-14)8-11-17(20)15-4-2-3-5-16(15)19/h2-7,9-10,19H,8,11H2,1H3 |
| InChIKey | MNURUUZWPIAVRQ-UHFFFAOYSA-N |
| Mol Weight | 284.31 g/mol |
| Molecular Formula | C17H16O4 |
| Exact Mass | 284.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3B1f8B3vyIu |
|---|---|
| Name | Etafenone-m isomer-2 ac @P800 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.104858991 u |
| Formula | C17H16O4 |
| InChI | InChI=1S/C17H16O4/c1-12(18)21-14-9-6-13(7-10-14)8-11-17(20)15-4-2-3-5-16(15)19/h2-7,9-10,19H,8,11H2,1H3 |
| InChIKey | MNURUUZWPIAVRQ-UHFFFAOYSA-N |
| SMILES | C=1C=C(C(=O)CCC2=CC=C(C=C2)OC(C)=O)C(O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934906 |