| SpectraBase Compound ID | 4cOYkG2v7sM |
|---|---|
| InChI | InChI=1S/C11H12O5/c1-7(13)15-10-3-9(6-12)4-11(5-10)16-8(2)14/h3-5,12H,6H2,1-2H3 |
| InChIKey | PUAUSAWAPPDYMM-UHFFFAOYSA-N |
| Mol Weight | 224.21 g/mol |
| Molecular Formula | C11H12O5 |
| Exact Mass | 224.068473 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1IYx4SVr154 |
|---|---|
| Name | Benzyl alcohol, 3,5-diacetoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.068473481 u |
| Formula | C11H12O5 |
| InChI | InChI=1S/C11H12O5/c1-7(13)15-10-3-9(6-12)4-11(5-10)16-8(2)14/h3-5,12H,6H2,1-2H3 |
| InChIKey | PUAUSAWAPPDYMM-UHFFFAOYSA-N |
| Molecular Weight | 224.212 g/mol |
| SMILES | C1=C(C=C(C=C1OC(=O)C)OC(=O)C)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.929834 |