| SpectraBase Compound ID | 4bGFwDOkInO |
|---|---|
| InChI | InChI=1S/C19H30O3/c1-3-9-18(20)11-8-6-4-5-7-10-16-12-14-17(15-13-16)19(21)22-2/h12-15,18,20H,3-11H2,1-2H3 |
| InChIKey | UVMAMYNRUXOCMU-UHFFFAOYSA-N |
| Mol Weight | 306.45 g/mol |
| Molecular Formula | C19H30O3 |
| Exact Mass | 306.219495 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5TXNkBmwI |
|---|---|
| Name | Methyl 4-(8-hydroxy-undecyl)-benzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.219494823 u |
| Formula | C19H30O3 |
| InChI | InChI=1S/C19H30O3/c1-3-9-18(20)11-8-6-4-5-7-10-16-12-14-17(15-13-16)19(21)22-2/h12-15,18,20H,3-11H2,1-2H3 |
| InChIKey | UVMAMYNRUXOCMU-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC=C1CCCCCCCC(CCC)O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.816477 |