| SpectraBase Compound ID | 3uzMGSX9bfZ |
|---|---|
| InChI | InChI=1S/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3/t3-,4-,9-,10+/m1/s1 |
| InChIKey | MDHHRPHYYRMIPH-UHFFFAOYSA-N |
| Mol Weight | 416.9 g/mol |
| Molecular Formula | C11H8Cl6O4 |
| Exact Mass | 413.855375 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CHbpsXsVETA |
|---|---|
| Name | Dimethyl chlorendate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.855374934 u |
| Formula | C11H8Cl6O4 |
| InChI | InChI=1S/C11H8Cl6O4/c1-20-7(18)3-4(8(19)21-2)10(15)6(13)5(12)9(3,14)11(10,16)17/h3-4H,1-2H3 |
| InChIKey | MDHHRPHYYRMIPH-UHFFFAOYSA-N |
| Molecular Weight | 416.899 g/mol |
| SMILES | C1(=C(C2(C(C(C1(Cl)C2(Cl)Cl)C(OC)=O)C(OC)=O)Cl)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.849711 |