| SpectraBase Compound ID | FC1tSxDBDuJ |
|---|---|
| InChI | InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+ |
| InChIKey | CHEMZHJQHCVLFI-MKICQXMISA-N |
| Mol Weight | 440.5 g/mol |
| Molecular Formula | C24H28N2O6 |
| Exact Mass | 440.194737 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 19oS1qilkmv |
|---|---|
| Name | (E,E)-Terrestribisamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.194736624 u |
| Formula | C24H28N2O6 |
| InChI | InChI=1S/C24H28N2O6/c1-31-21-15-17(5-9-19(21)27)7-11-23(29)25-13-3-4-14-26-24(30)12-8-18-6-10-20(28)22(16-18)32-2/h5-12,15-16,27-28H,3-4,13-14H2,1-2H3,(H,25,29)(H,26,30)/b11-7+,12-8+ |
| InChIKey | CHEMZHJQHCVLFI-MKICQXMISA-N |
| Molecular Weight | 440.496 g/mol |
| SMILES | C=1(O)C=CC(=CC1OC)\C=C\C(=O)NCCCCNC(=O)\C=C\C1=CC(OC)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947351 |