| SpectraBase Compound ID | AqzUNapD3Kp |
|---|---|
| InChI | InChI=1S/C24H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-24(26)22-18-17-19-23(25)21-22/h17-19,21H,2-16,20H2,1H3 |
| InChIKey | UTRSQRHGCHNRSC-UHFFFAOYSA-N |
| Mol Weight | 439.5 g/mol |
| Molecular Formula | C24H39BrO2 |
| Exact Mass | 438.213343 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 | EOTtNU9Y7w8 |
|---|---|
| Name | 3-Bromobenzoic acid, heptadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 438.213343494 u |
| Formula | C24H39BrO2 |
| InChI | InChI=1S/C24H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-24(26)22-18-17-19-23(25)21-22/h17-19,21H,2-16,20H2,1H3 |
| InChIKey | UTRSQRHGCHNRSC-UHFFFAOYSA-N |
| Molecular Weight | 439.478 g/mol |
| SMILES | C(CCCCCCCCCCCC)CCCCOC(=O)C1=CC=CC(=C1)Br |