| SpectraBase Spectrum ID |
5MTjJd798eF |
| Name |
N,N-Diacetyl-N'-(Z)-(p-methoxycinnamoyl)-buchnerine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
606.341735211 u |
| Formula |
C34H46N4O6 |
| InChI |
InChI=1S/C34H46N4O6/c1-26(39)36-20-5-6-21-37(34(42)18-11-28-9-14-30(43-3)15-10-28)22-7-19-35-33(41)25-32(38(27(2)40)24-8-23-36)29-12-16-31(44-4)17-13-29/h9-18,32H,5-8,19-25H2,1-4H3,(H,35,41)/b18-11-/t32-/m0/s1 |
| InChIKey |
UNOOSOUMSAQPII-UEKWBJSISA-N |
| Molecular Weight |
606.764 g/mol |
| SMILES |
[C@]1(N(CCCN(CCCCN(CCCNC(C1)=O)C(\C=C/C1=CC=C(C=C1)OC)=O)C(=O)C)C(=O)C)(C=1C=CC(=CC1)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852283 |
