| SpectraBase Compound ID | 5GN3IMjSLt5 |
|---|---|
| InChI | InChI=1S/C16H31NO3/c1-5-7-11-17(12-8-6-2)15(18)16(19)20-13-9-10-14(3)4/h14H,5-13H2,1-4H3 |
| InChIKey | QCZGXFRWTJKXOY-UHFFFAOYSA-N |
| Mol Weight | 285.43 g/mol |
| Molecular Formula | C16H31NO3 |
| Exact Mass | 285.230394 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AAaTFBmjQzi |
|---|---|
| Name | Oxalic acid, monoamide, N,N-dibutyl, isohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.230393859 u |
| Formula | C16H31NO3 |
| InChI | InChI=1S/C16H31NO3/c1-5-7-11-17(12-8-6-2)15(18)16(19)20-13-9-10-14(3)4/h14H,5-13H2,1-4H3 |
| InChIKey | QCZGXFRWTJKXOY-UHFFFAOYSA-N |
| SMILES | C(N(C(C(OCCCC(C)C)=O)=O)CCCC)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969671 |