| SpectraBase Spectrum ID |
5XlD3ksQFpQ |
| Name |
Dichlorophene, o,o'-di(3-methylbut-2-enoyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.089514584 u |
| Formula |
C23H22Cl2O4 |
| InChI |
InChI=1S/C23H22Cl2O4/c1-14(2)9-22(26)28-20-7-5-18(24)12-16(20)11-17-13-19(25)6-8-21(17)29-23(27)10-15(3)4/h5-10,12-13H,11H2,1-4H3 |
| InChIKey |
LVDOXQUBTQZYRA-UHFFFAOYSA-N |
| Molecular Weight |
433.331 g/mol |
| SMILES |
C1(=CC(=CC=C1OC(=O)C=C(C)C)Cl)CC1=C(C=CC(=C1)Cl)OC(=O)C=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949677 |
