| SpectraBase Spectrum ID |
9aDNuPSRCjQ |
| Name |
5-[8-(3,6-Diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-2,3-dimethyl-p-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
374.151809184 u |
| Formula |
C24H22O4 |
| InChI |
InChI=1S/C24H22O4/c1-15-17(3)23(27)19(13-21(15)25)11-9-7-5-6-8-10-12-20-14-22(26)16(2)18(4)24(20)28/h13-14H,9-12H2,1-4H3 |
| InChIKey |
RSMCQTKQAQHDOI-UHFFFAOYSA-N |
| Molecular Weight |
374.436 g/mol |
| SMILES |
C1(=C(C(=O)C=C(C1=O)CCC#CC#CCCC=1C(C(C)=C(C(C1)=O)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.973856 |
![5-[8-(3,6-Diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-2,3-dimethyl-p-benzoquinone](/api/spectrum/9aDNuPSRCjQ/structure.png?h=300&w=458 "5-[8-(3,6-Diketo-4,5-dimethyl-cyclohexa-1,4-dien-1-yl)octa-3,5-diynyl]-2,3-dimethyl-p-benzoquinone")
