| SpectraBase Compound ID | D6skcKhVq6g |
|---|---|
| InChI | InChI=1S/C22H33BrO4/c1-2-3-4-7-12-17-26-21(24)19-14-9-10-15-20(19)22(25)27-18-13-8-5-6-11-16-23/h9-10,14-15H,2-8,11-13,16-18H2,1H3 |
| InChIKey | VMSYKPRVSOXOBS-UHFFFAOYSA-N |
| Mol Weight | 441.4 g/mol |
| Molecular Formula | C22H33BrO4 |
| Exact Mass | 440.156223 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 | 10fquCo7n3 |
|---|---|
| Name | Phthalic acid, 7-bromoheptyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 440.156222539 u |
| Formula | C22H33BrO4 |
| InChI | InChI=1S/C22H33BrO4/c1-2-3-4-7-12-17-26-21(24)19-14-9-10-15-20(19)22(25)27-18-13-8-5-6-11-16-23/h9-10,14-15H,2-8,11-13,16-18H2,1H3 |
| InChIKey | VMSYKPRVSOXOBS-UHFFFAOYSA-N |
| Molecular Weight | 441.406 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCCCCCCC)=O)C(OCCCCCCCBr)=O |