| SpectraBase Spectrum ID |
Lg9LIE00KmJ |
| Name |
(1Z)-1,3-di[4-(Methoxycarbonyl)phenyl]-2-[4-(methoxycarbonyl)phenylethynyl]-1,3-butadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
480.157288487 u |
| Formula |
C30H24O6 |
| InChI |
InChI=1S/C30H24O6/c1-20(23-15-17-26(18-16-23)30(33)36-4)27(19-22-8-12-25(13-9-22)29(32)35-3)14-7-21-5-10-24(11-6-21)28(31)34-2/h5-6,8-13,15-19H,1H2,2-4H3/b27-19- |
| InChIKey |
IDLCAVVFQVSPTI-DIBXZPPDSA-N |
| Molecular Weight |
480.516 g/mol |
| SMILES |
C(\C(=C/C=1C=CC(=CC1)C(=O)OC)C#CC=1C=CC(=CC1)C(=O)OC)(=C)C=1C=CC(=CC1)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916568 |
![(1Z)-1,3-Di[4-(methoxycarbonyl)phenyl]-2-[4-(methoxycarbonyl)phenylethynyl]-1,3-butadiene](/api/spectrum/Lg9LIE00KmJ/structure.png?h=300&w=458 "(1Z)-1,3-Di[4-(methoxycarbonyl)phenyl]-2-[4-(methoxycarbonyl)phenylethynyl]-1,3-butadiene")
