| SpectraBase Compound ID | AWpsliEbNdT |
|---|---|
| InChI | InChI=1S/C15H10Cl3NO5/c16-10-7-12(17)14(13(18)8-10)23-5-6-24-15(20)9-1-3-11(4-2-9)19(21)22/h1-4,7-8H,5-6H2 |
| InChIKey | MXAPVCOUVYLVLH-UHFFFAOYSA-N |
| Mol Weight | 390.61 g/mol |
| Molecular Formula | C15H10Cl3NO5 |
| Exact Mass | 388.962456 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 | 4WzBd7IArcW |
|---|---|
| Name | 2-(2,4,6-Trichlorophenoxy)ethanol, p-nitrobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.962455521 u |
| Formula | C15H10Cl3NO5 |
| InChI | InChI=1S/C15H10Cl3NO5/c16-10-7-12(17)14(13(18)8-10)23-5-6-24-15(20)9-1-3-11(4-2-9)19(21)22/h1-4,7-8H,5-6H2 |
| InChIKey | MXAPVCOUVYLVLH-UHFFFAOYSA-N |
| Molecular Weight | 390.606 g/mol |
| SMILES | C=1(Cl)C=C(Cl)C=C(C1OCCOC(C1=CC=C(C=C1)N(=O)=O)=O)Cl |