| SpectraBase Compound ID | 82wTWVUVvx9 |
|---|---|
| InChI | InChI=1S/2C8H13NO2/c2*1-9-5-3-4-7(6-9)8(10)11-2/h2*4H,3,5-6H2,1-2H3 |
| InChIKey | VOXCAJUXBCHFHD-UHFFFAOYSA-N |
| Mol Weight | 310.39 g/mol |
| Molecular Formula | C16H26N2O4 |
| Exact Mass | 310.189257 g/mol |
| SpectraBase Spectrum ID | FEE10Qp8ksh |
|---|---|
| Name | Dienophile - 1 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 310.189257321 u |
| Formula | C16H26N2O4 |
| InChI | InChI=1S/2C8H13NO2/c2*1-9-5-3-4-7(6-9)8(10)11-2/h2*4H,3,5-6H2,1-2H3 |
| InChIKey | VOXCAJUXBCHFHD-UHFFFAOYSA-N |
| Molecular Weight | 310.394 g/mol |
| SMILES | C=1(C(=O)OC)CN(C)CCC1.C=1(C(=O)OC)CN(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989442 |