| SpectraBase Compound ID | JEBobVGIE0i |
|---|---|
| InChI | InChI=1S/C27H33N3O6/c1-34-23-17-20-18-24(35-2)21(23)8-11-27(33)29-14-4-3-12-28-13-5-15-30-26(32)10-7-19-6-9-22(31)25(16-19)36-20/h6-11,16-18,28,31H,3-5,12-15H2,1-2H3,(H,29,33)(H,30,32)/b10-7+,11-8+ |
| InChIKey | NUYJJSYIZAZKPD-AMMQDNIMSA-N |
| Mol Weight | 495.6 g/mol |
| Molecular Formula | C27H33N3O6 |
| Exact Mass | 495.236936 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 2SruvzuU4ax |
|---|---|
| Name | Capparisinine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 495.236935789 u |
| Formula | C27H33N3O6 |
| InChI | InChI=1S/C27H33N3O6/c1-34-23-17-20-18-24(35-2)21(23)8-11-27(33)29-14-4-3-12-28-13-5-15-30-26(32)10-7-19-6-9-22(31)25(16-19)36-20/h6-11,16-18,28,31H,3-5,12-15H2,1-2H3,(H,29,33)(H,30,32)/b10-7+,11-8+ |
| InChIKey | NUYJJSYIZAZKPD-AMMQDNIMSA-N |
| Molecular Weight | 495.576 g/mol |
| SMILES | COC1=CC2=CC(OC)=C1\C=C\C(=O)NCCCCNCCCNC(=O)\C=C\C1=CC(O2)=C(O)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872765 |