| SpectraBase Compound ID | GB9n66mm35l |
|---|---|
| InChI | InChI=1S/C11H14O2/c1-3-6-10-7-4-5-8-11(10)13-9(2)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | RKMMUVDOPJRSKW-UHFFFAOYSA-N |
| Mol Weight | 178.23 g/mol |
| Molecular Formula | C11H14O2 |
| Exact Mass | 178.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ILjtVUMwggi |
|---|---|
| Name | Acetic acid, 2-propylphenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.099379689 u |
| Formula | C11H14O2 |
| InChI | InChI=1S/C11H14O2/c1-3-6-10-7-4-5-8-11(10)13-9(2)12/h4-5,7-8H,3,6H2,1-2H3 |
| InChIKey | RKMMUVDOPJRSKW-UHFFFAOYSA-N |
| Molecular Weight | 178.231 g/mol |
| SMILES | CCCC=1C(OC(=O)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892137 |