| SpectraBase Compound ID | 46Hyezj85Oz |
|---|---|
| InChI | InChI=1S/C17H22BrFO4/c1-3-4-5-6-12(2)22-16(20)9-10-17(21)23-15-8-7-13(19)11-14(15)18/h7-8,11-12H,3-6,9-10H2,1-2H3 |
| InChIKey | ZLTVXDUMYUGWKI-UHFFFAOYSA-N |
| Mol Weight | 389.26 g/mol |
| Molecular Formula | C17H22BrFO4 |
| Exact Mass | 388.06855 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 | 6qU5QTgjJdT |
|---|---|
| Name | Succinic acid, hept-2-yl 2-bromo-4-fluorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.068550347 u |
| Formula | C17H22BrFO4 |
| InChI | InChI=1S/C17H22BrFO4/c1-3-4-5-6-12(2)22-16(20)9-10-17(21)23-15-8-7-13(19)11-14(15)18/h7-8,11-12H,3-6,9-10H2,1-2H3 |
| InChIKey | ZLTVXDUMYUGWKI-UHFFFAOYSA-N |
| Molecular Weight | 389.261 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OC=1C=CC(=CC1Br)F)=O |