| SpectraBase Compound ID | 69QvtlImO4n |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(20)17-13-12-14-19-16-17/h12-14,16H,2-11,15H2,1H3 |
| InChIKey | OOBIYKZOAIQDEC-UHFFFAOYSA-N |
| Mol Weight | 291.44 g/mol |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.219829 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HG4ea6jSX9g |
|---|---|
| Name | Nicotinic acid, dodecyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.219829176 u |
| Formula | C18H29NO2 |
| InChI | InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15-21-18(20)17-13-12-14-19-16-17/h12-14,16H,2-11,15H2,1H3 |
| InChIKey | OOBIYKZOAIQDEC-UHFFFAOYSA-N |
| SMILES | C1=NC=C(C=C1)C(OCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947988 |