| SpectraBase Spectrum ID |
KrMRiGgSPPX |
| Name |
Benzene, 1,1'-(1-penten-4-yne-1,5-diyl)bis[3,4-dimethoxy-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.151809184 u |
| Formula |
C21H22O4 |
| InChI |
InChI=1S/C21H22O4/c1-22-18-12-10-16(14-20(18)24-3)8-6-5-7-9-17-11-13-19(23-2)21(15-17)25-4/h6,8,10-15H,5H2,1-4H3/b8-6+ |
| InChIKey |
ZCMBZQQCUNCVSH-SOFGYWHQSA-N |
| Molecular Weight |
338.403 g/mol |
| SMILES |
C(#CC\C=C\C=1C=C(OC)C(=CC1)OC)C=1C=C(OC)C(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974377 |
