| SpectraBase Spectrum ID |
IPd6pq6L5s4 |
| Name |
N-Methyldioncophyllin A |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.214743795 u |
| Formula |
C25H29NO3 |
| InChI |
InChI=1S/C25H29NO3/c1-14-12-21(29-6)24-18(8-7-9-20(24)28-5)22(14)19-11-10-17-13-15(2)26(4)16(3)23(17)25(19)27/h7-12,15-16,27H,13H2,1-6H3 |
| InChIKey |
ZSYADESMHZOJRK-UHFFFAOYSA-N |
| Molecular Weight |
391.511 g/mol |
| SMILES |
C1=C(C2=C3C(C(=CC=C3)OC)=C(C=C2C)OC)C(O)=C2C(=C1)CC(C)N(C2C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915109 |
