| SpectraBase Compound ID | DzoJcGANSFU |
|---|---|
| InChI | InChI=1S/C15H15Cl3O4/c1-3-9(2)21-13(19)5-4-6-14(20)22-15-11(17)7-10(16)8-12(15)18/h3,7-9H,1,4-6H2,2H3 |
| InChIKey | RCMYEMACHAKHBA-UHFFFAOYSA-N |
| Mol Weight | 365.64 g/mol |
| Molecular Formula | C15H15Cl3O4 |
| Exact Mass | 364.003592 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9SFPsfTgVMg |
|---|---|
| Name | Glutaric acid, but-3-en-2-yl 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.003592059 u |
| Formula | C15H15Cl3O4 |
| InChI | InChI=1S/C15H15Cl3O4/c1-3-9(2)21-13(19)5-4-6-14(20)22-15-11(17)7-10(16)8-12(15)18/h3,7-9H,1,4-6H2,2H3 |
| InChIKey | RCMYEMACHAKHBA-UHFFFAOYSA-N |
| Molecular Weight | 365.640 g/mol |
| SMILES | C(CCC(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)C(OC(C)C=C)=O |