| SpectraBase Spectrum ID |
GlZwcUS57t |
| Name |
6-Methoxy-6-oxohexan-2-yl (E)-2,4-dimethoxy-6-(5-methoxy-5-oxopent-1-en-1-yl)benzoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
422.194067918 u |
| Formula |
C22H30O8 |
| InChI |
InChI=1S/C22H30O8/c1-15(9-8-12-20(24)29-5)30-22(25)21-16(10-6-7-11-19(23)28-4)13-17(26-2)14-18(21)27-3/h6,10,13-15H,7-9,11-12H2,1-5H3/b10-6+ |
| InChIKey |
MRTLGHPVWFATKK-UXBLZVDNSA-N |
| Molecular Weight |
422.474 g/mol |
| SMILES |
C1(=CC(=C(C(=C1)\C=C\CCC(=O)OC)C(OC(CCCC(OC)=O)C)=O)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853921 |
