| SpectraBase Compound ID | AvYfjWigSBk |
|---|---|
| InChI | InChI=1S/C12H16O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | YNYYRDUFMDDJMV-UHFFFAOYSA-N |
| Mol Weight | 208.26 g/mol |
| Molecular Formula | C12H16O3 |
| Exact Mass | 208.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITLMJazYZZB |
|---|---|
| Name | 4-(Isopentyloxy)benzoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.109944372 u |
| Formula | C12H16O3 |
| InChI | InChI=1S/C12H16O3/c1-9(2)7-8-15-11-5-3-10(4-6-11)12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | YNYYRDUFMDDJMV-UHFFFAOYSA-N |
| Molecular Weight | 208.257 g/mol |
| SMILES | C(OC1=CC=C(C=C1)C(=O)O)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953176 |