| SpectraBase Compound ID | FXKGRBl2EpR |
|---|---|
| InChI | InChI=1S/C14H28N2O2S/c1-3-5-9-15-13(17)7-11-19-12-8-14(18)16-10-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | VHXGGMWUHLGUBZ-UHFFFAOYSA-N |
| Mol Weight | 288.45 g/mol |
| Molecular Formula | C14H28N2O2S |
| Exact Mass | 288.187149 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 84LmzizzI8n |
|---|---|
| Name | N,N'-Dibutyl 4-thiaheptanedioic acid amide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.187149322 u |
| Formula | C14H28N2O2S |
| InChI | InChI=1S/C14H28N2O2S/c1-3-5-9-15-13(17)7-11-19-12-8-14(18)16-10-6-4-2/h3-12H2,1-2H3,(H,15,17)(H,16,18) |
| InChIKey | VHXGGMWUHLGUBZ-UHFFFAOYSA-N |
| SMILES | CCCCNC(CCSCCC(NCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984463 |