| SpectraBase Compound ID | ALZ7Z6JGK6r |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-2-15-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(20)12-14-17/h11-14H,2-10,15H2,1H3 |
| InChIKey | PYIZYASZOZGAKK-UHFFFAOYSA-N |
| Mol Weight | 399.33 g/mol |
| Molecular Formula | C19H27BrO4 |
| Exact Mass | 398.109272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6dhj2FSJ5LI |
|---|---|
| Name | Sebacic acid, 4-bromophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.109272345 u |
| Formula | C19H27BrO4 |
| InChI | InChI=1S/C19H27BrO4/c1-2-15-23-18(21)9-7-5-3-4-6-8-10-19(22)24-17-13-11-16(20)12-14-17/h11-14H,2-10,15H2,1H3 |
| InChIKey | PYIZYASZOZGAKK-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCCC)=O |