| SpectraBase Compound ID | DGz1ycXwkpN |
|---|---|
| InChI | InChI=1S/C18H36O3/c1-4-16(2)13-11-9-7-5-6-8-10-12-14-17(19)15-18(20)21-3/h16-17,19H,4-15H2,1-3H3 |
| InChIKey | RMFKWVVGSQEOEV-UHFFFAOYSA-N |
| Mol Weight | 300.5 g/mol |
| Molecular Formula | C18H36O3 |
| Exact Mass | 300.266445 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6dDjKMAG8Pf |
|---|---|
| Name | 3-Hydroxy-14-methyl methyl hexadecanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.266445016 u |
| Formula | C18H36O3 |
| InChI | InChI=1S/C18H36O3/c1-4-16(2)13-11-9-7-5-6-8-10-12-14-17(19)15-18(20)21-3/h16-17,19H,4-15H2,1-3H3 |
| InChIKey | RMFKWVVGSQEOEV-UHFFFAOYSA-N |
| SMILES | C(CCCCCCCCC(O)CC(OC)=O)CC(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.923813 |