| SpectraBase Compound ID | 9XSg102kYQP |
|---|---|
| InChI | InChI=1S/C17H21BrO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h7-10,14-15H,2-6,11H2,1H3 |
| InChIKey | FWTBLERNEFIDDW-UHFFFAOYSA-N |
| Mol Weight | 369.26 g/mol |
| Molecular Formula | C17H21BrO4 |
| Exact Mass | 368.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ARdJfyWN9v |
|---|---|
| Name | 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.062322152 u |
| Formula | C17H21BrO4 |
| InChI | InChI=1S/C17H21BrO4/c1-2-11-21-16(19)14-5-3-4-6-15(14)17(20)22-13-9-7-12(18)8-10-13/h7-10,14-15H,2-6,11H2,1H3 |
| InChIKey | FWTBLERNEFIDDW-UHFFFAOYSA-N |
| Molecular Weight | 369.255 g/mol |
| SMILES | C1(=CC=C(C=C1)Br)OC(C1CCCCC1C(=O)OCCC)=O |