| SpectraBase Spectrum ID |
4OGdYUMMuXC |
| Name |
[1,1'-Biphenyl]-2,3',4,5',6-pentayl pentaacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
444.105646834 u |
| Formula |
C22H20O10 |
| InChI |
InChI=1S/C22H20O10/c1-11(23)28-17-6-16(7-18(8-17)29-12(2)24)22-20(31-14(4)26)9-19(30-13(3)25)10-21(22)32-15(5)27/h6-10H,1-5H3 |
| InChIKey |
TUPZGMFAQQXCJV-UHFFFAOYSA-N |
| Molecular Weight |
444.392 g/mol |
| SMILES |
C1(OC(C)=O)=C(C(=CC(=C1)OC(C)=O)OC(C)=O)C1=CC(=CC(=C1)OC(C)=O)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842064 |
![[1,1'-Biphenyl]-2,3',4,5',6-pentayl pentaacetate](/api/spectrum/4OGdYUMMuXC/structure.png?h=300&w=458 "[1,1'-Biphenyl]-2,3',4,5',6-pentayl pentaacetate")
