| SpectraBase Compound ID | 3TdLB7tZ05X |
|---|---|
| InChI | InChI=1S/C11H14O3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | QDBFCZCIBRFQBR-UHFFFAOYSA-N |
| Mol Weight | 194.23 g/mol |
| Molecular Formula | C11H14O3 |
| Exact Mass | 194.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HYJds2LIAyc |
|---|---|
| Name | 4-Hydroxybutyl benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.094294308 u |
| Formula | C11H14O3 |
| InChI | InChI=1S/C11H14O3/c12-8-4-5-9-14-11(13)10-6-2-1-3-7-10/h1-3,6-7,12H,4-5,8-9H2 |
| InChIKey | QDBFCZCIBRFQBR-UHFFFAOYSA-N |
| Molecular Weight | 194.230 g/mol |
| SMILES | C(=O)(C=1C=CC=CC1)OCCCCO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942287 |