| SpectraBase Compound ID | 2UgE69Yu1xV |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-2-3-4-5-6-7-15-23-18(21)9-8-10-19(22)24-17-13-11-16(20)12-14-17/h11-14H,2-10,15H2,1H3 |
| InChIKey | ASMPDCBJCNJDSA-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 | HxB2JvsTpp2 |
|---|---|
| Name | Glutaric acid, 4-bromophenyl octyl 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/c1-2-3-4-5-6-7-15-23-18(21)9-8-10-19(22)24-17-13-11-16(20)12-14-17/h11-14H,2-10,15H2,1H3 |
| InChIKey | ASMPDCBJCNJDSA-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | CCCCCCCCOC(CCCC(OC1=CC=C(C=C1)Br)=O)=O |