| SpectraBase Spectrum ID |
G3zszE6wU4u |
| Name |
Piperaborenine A |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
574.231516055 u |
| Formula |
C32H34N2O8 |
| InChI |
InChI=1S/C32H34N2O8/c1-39-21-13-11-19(17-23(21)41-3)27-29(31(37)33-15-7-5-9-25(33)35)28(20-12-14-22(40-2)24(18-20)42-4)30(27)32(38)34-16-8-6-10-26(34)36/h5-6,9-14,17-18,27-30H,7-8,15-16H2,1-4H3 |
| InChIKey |
XLBWPRYBCXIRIT-UHFFFAOYSA-N |
| Molecular Weight |
574.630 g/mol |
| SMILES |
C(N1C(C=CCC1)=O)(C1C(C=2C=C(OC)C(=CC2)OC)C(C(N2C(C=CCC2)=O)=O)C1C=1C=C(OC)C(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951263 |
