| SpectraBase Compound ID | 1H4udyzVFfr |
|---|---|
| InChI | InChI=1S/C18H35NO/c1-16(2)13-11-9-7-5-6-8-10-12-14-17-19-18(3,4)15-20-17/h16H,5-15H2,1-4H3 |
| InChIKey | HKISOEGNQYRBSJ-UHFFFAOYSA-N |
| Mol Weight | 281.5 g/mol |
| Molecular Formula | C18H35NO |
| Exact Mass | 281.271865 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DnjRQQyctIv |
|---|---|
| Name | 12-Methyl-tridecanoic acid, dmox derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.271864750 u |
| Formula | C18H35NO |
| InChI | InChI=1S/C18H35NO/c1-16(2)13-11-9-7-5-6-8-10-12-14-17-19-18(3,4)15-20-17/h16H,5-15H2,1-4H3 |
| InChIKey | HKISOEGNQYRBSJ-UHFFFAOYSA-N |
| SMILES | C=1(OCC(N1)(C)C)CCCCCCCCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927615 |