| SpectraBase Compound ID | 23emvT3xWak |
|---|---|
| InChI | InChI=1S/C16H33NO3/c1-5-6-7-8-9-10-11-17(12-14(2)18)13-15(3)20-16(4)19/h14-15,18H,5-13H2,1-4H3 |
| InChIKey | HJCJDAOPGHLJKZ-UHFFFAOYSA-N |
| Mol Weight | 287.4 g/mol |
| Molecular Formula | C16H33NO3 |
| Exact Mass | 287.246044 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DIZIFbjKEHM |
|---|---|
| Name | 1,1'-(Octylazanediyl)bis(propan-2-ol), acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.246043924 u |
| Formula | C16H33NO3 |
| InChI | InChI=1S/C16H33NO3/c1-5-6-7-8-9-10-11-17(12-14(2)18)13-15(3)20-16(4)19/h14-15,18H,5-13H2,1-4H3 |
| InChIKey | HJCJDAOPGHLJKZ-UHFFFAOYSA-N |
| SMILES | C(N(CC(OC(=O)C)C)CCCCCCCC)C(O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.902187 |