| SpectraBase Spectrum ID |
Jy9m0DkqugN |
| Name |
1,1'-(4,6-bis(3-Methylbutyl)oxy-1,3-phenylene)bisethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.214409442 u |
| Formula |
C20H30O4 |
| InChI |
InChI=1S/C20H30O4/c1-13(2)7-9-23-19-12-20(24-10-8-14(3)4)18(16(6)22)11-17(19)15(5)21/h11-14H,7-10H2,1-6H3 |
| InChIKey |
WXBSJTMPHKUSLQ-UHFFFAOYSA-N |
| Molecular Weight |
334.456 g/mol |
| SMILES |
C1(=CC(OCCC(C)C)=C(C=C1C(C)=O)C(=O)C)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972366 |
