| SpectraBase Compound ID | GAEQ3GO2mH7 |
|---|---|
| InChI | InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3 |
| InChIKey | RJLWSJUUDKAMPQ-UHFFFAOYSA-N |
| Mol Weight | 276.5 g/mol |
| Molecular Formula | C19H32O |
| Exact Mass | 276.245316 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EJZqN1KL6Xg |
|---|---|
| Name | 4-Dodecyl-o-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.245315649 u |
| Formula | C19H32O |
| InChI | InChI=1S/C19H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-14-15-19(20)17(2)16-18/h14-16,20H,3-13H2,1-2H3 |
| InChIKey | RJLWSJUUDKAMPQ-UHFFFAOYSA-N |
| Molecular Weight | 276.464 g/mol |
| SMILES | C1=C(C=CC(=C1C)O)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.85707 |