| SpectraBase Spectrum ID |
8qq8hkEtHaG |
| Name |
(Z)-Dimethyl 2-(3-([1,1'-biphenyl]-4-yl)prop-2-yn-1-yl)-2-(4-hydroxybut-2-en-1- yl)malonate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.162373868 u |
| Formula |
C24H24O5 |
| InChI |
InChI=1S/C24H24O5/c1-28-22(26)24(23(27)29-2,16-6-7-18-25)17-8-9-19-12-14-21(15-13-19)20-10-4-3-5-11-20/h3-7,10-15,25H,16-18H2,1-2H3/b7-6- |
| InChIKey |
RPHMFQYYVPEJFX-SREVYHEPSA-N |
| Molecular Weight |
392.451 g/mol |
| SMILES |
C(CC#CC=1C=CC(=CC1)C1=CC=CC=C1)(C(=O)OC)(C(=O)OC)C\C=C/CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812191 |
![(Z)-Dimethyl 2-(3-([1,1'-biphenyl]-4-yl)prop-2-yn-1-yl)-2-(4-hydroxybut-2-en-1- yl)malonate](/api/spectrum/8qq8hkEtHaG/structure.png?h=300&w=458 "(Z)-Dimethyl 2-(3-([1,1'-biphenyl]-4-yl)prop-2-yn-1-yl)-2-(4-hydroxybut-2-en-1- yl)malonate")
