| SpectraBase Compound ID | HeToKNxrmhE |
|---|---|
| InChI | InChI=1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3 |
| InChIKey | XRZFVPCFHPIMAD-UHFFFAOYSA-N |
| Mol Weight | 208.21 g/mol |
| Molecular Formula | C11H12O4 |
| Exact Mass | 208.073559 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1we7cvuz65I |
|---|---|
| Name | Benzaldehyde, 4-(acetyloxy)-3-ethoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.073558862 u |
| Formula | C11H12O4 |
| InChI | InChI=1S/C11H12O4/c1-3-14-11-6-9(7-12)4-5-10(11)15-8(2)13/h4-7H,3H2,1-2H3 |
| InChIKey | XRZFVPCFHPIMAD-UHFFFAOYSA-N |
| Molecular Weight | 208.213 g/mol |
| SMILES | C(OC1=CC(C=O)=CC=C1OC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941132 |