| SpectraBase Spectrum ID |
Dq3QK3ZrHzB |
| Name |
N-[(E)-[(E)-3-[2-[8-[2-[(E,3E)-3-(dimethylhydrazono)but-1-enyl]phenoxy]octa-3,5-diynoxy]phenyl]-1-methyl-prop-2-enylidene]amino]-N-methyl-methanamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.299476478 u |
| Formula |
C32H38N4O2 |
| InChI |
InChI=1S/C32H38N4O2/c1-27(33-35(3)4)21-23-29-17-11-13-19-31(29)37-25-15-9-7-8-10-16-26-38-32-20-14-12-18-30(32)24-22-28(2)34-36(5)6/h11-14,17-24H,15-16,25-26H2,1-6H3/b23-21+,24-22+,33-27+,34-28+ |
| InChIKey |
QZRPVWDNWWFULO-ZTLFYIERSA-N |
| Molecular Weight |
510.682 g/mol |
| SMILES |
C(C#CCCOC=1C(\C=C\C(=N\N(C)C)C)=CC=CC1)#CCCOC=1C(\C=C\C(=N\N(C)C)C)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967589 |
![N-[(E)-[(E)-3-[2-[8-[2-[(E,3E)-3-(dimethylhydrazono)but-1-enyl]phenoxy]octa-3,5-diynoxy]phenyl]-1-methyl-prop-2-enylidene]amino]-N-methyl-methanamine](/api/spectrum/Dq3QK3ZrHzB/structure.png?h=300&w=458 "N-[(E)-[(E)-3-[2-[8-[2-[(E,3E)-3-(dimethylhydrazono)but-1-enyl]phenoxy]octa-3,5-diynoxy]phenyl]-1-methyl-prop-2-enylidene]amino]-N-methyl-methanamine")
