| SpectraBase Compound ID | I7dAF29rK5W |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-3-4-9-5-6-11(10(13)7-9)14-8(2)12/h3,5-7,13H,1,4H2,2H3 |
| InChIKey | PNSJXUWAPPRSKA-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 12K42GqDbhF |
|---|---|
| Name | 4-Allyl-2-hydroxyphenyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-3-4-9-5-6-11(10(13)7-9)14-8(2)12/h3,5-7,13H,1,4H2,2H3 |
| InChIKey | PNSJXUWAPPRSKA-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | C1(=C(C=C(C=C1)CC=C)O)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950738 |