| SpectraBase Compound ID | 1SQyjr1Pw9F |
|---|---|
| InChI | InChI=1S/C17H9Cl3O2/c18-11-8-14(19)16(15(20)9-11)22-17(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-9H |
| InChIKey | ZWYRRXOUIGVHMB-UHFFFAOYSA-N |
| Mol Weight | 351.62 g/mol |
| Molecular Formula | C17H9Cl3O2 |
| Exact Mass | 349.966813 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 | 4mdwq5SM0Rk |
|---|---|
| Name | 1-Naphthoic acid, 2,4,6-trichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.966812628 u |
| Formula | C17H9Cl3O2 |
| InChI | InChI=1S/C17H9Cl3O2/c18-11-8-14(19)16(15(20)9-11)22-17(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-9H |
| InChIKey | ZWYRRXOUIGVHMB-UHFFFAOYSA-N |
| Molecular Weight | 351.616 g/mol |
| SMILES | C1(=CC=CC2=C1C=CC=C2)C(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |