| SpectraBase Compound ID | 70Ekhl9KWCF |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-3-4-9-16-13(15)11-5-7-12(8-6-11)17-10(2)14/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MYCRBPXYIRYAON-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Jr9hHCgb4OJ |
|---|---|
| Name | Butyl 4-acetoxybenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-3-4-9-16-13(15)11-5-7-12(8-6-11)17-10(2)14/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | MYCRBPXYIRYAON-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C1=C(C=CC(=C1)OC(C)=O)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835908 |