| SpectraBase Compound ID | KD43DK820ql |
|---|---|
| InChI | InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h4-14H2,1-3H3 |
| InChIKey | FREPJBZLNPPGDM-UHFFFAOYSA-N |
| Mol Weight | 253.43 g/mol |
| Molecular Formula | C16H31NO |
| Exact Mass | 253.240565 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B2DZWM88Q7y |
|---|---|
| Name | Dodecanoic acid, dmox derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.240564621 u |
| Formula | C16H31NO |
| InChI | InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-13-15-17-16(2,3)14-18-15/h4-14H2,1-3H3 |
| InChIKey | FREPJBZLNPPGDM-UHFFFAOYSA-N |
| Molecular Weight | 253.430 g/mol |
| SMILES | C=1(OCC(N1)(C)C)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901941 |