| SpectraBase Spectrum ID |
JSa3gPutdHr |
| Name |
Methyl-dichloroasterrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
430.022222867 u |
| Formula |
C18H16Cl2O8 |
| InChI |
InChI=1S/C18H16Cl2O8/c1-7-12(19)14(22)11(18(24)27-4)16(13(7)20)28-15-9(17(23)26-3)5-8(21)6-10(15)25-2/h5-6,21-22H,1-4H3 |
| InChIKey |
UWTOESDPWKUNBD-UHFFFAOYSA-N |
| Molecular Weight |
431.224 g/mol |
| SMILES |
C1(O)=CC(=C(OC2=C(C(O)=C(Cl)C(=C2Cl)C)C(=O)OC)C(=C1)OC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847579 |
