| SpectraBase Compound ID | LQCnm9euUZX |
|---|---|
| InChI | InChI=1S/C19H27BrO5/c1-2-3-4-5-13-24-18(21)7-6-8-19(22)25-15-14-23-17-11-9-16(20)10-12-17/h9-12H,2-8,13-15H2,1H3 |
| InChIKey | YWAFWXKSWRURJJ-UHFFFAOYSA-N |
| Mol Weight | 415.32 g/mol |
| Molecular Formula | C19H27BrO5 |
| Exact Mass | 414.104187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DsGblkbc0ic |
|---|---|
| Name | Glutaric acid, 2-(4-bromophenoxy)ethyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 414.104186964 u |
| Formula | C19H27BrO5 |
| InChI | InChI=1S/C19H27BrO5/c1-2-3-4-5-13-24-18(21)7-6-8-19(22)25-15-14-23-17-11-9-16(20)10-12-17/h9-12H,2-8,13-15H2,1H3 |
| InChIKey | YWAFWXKSWRURJJ-UHFFFAOYSA-N |
| Molecular Weight | 415.324 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)Br)(=O)CCCC(OCCCCCC)=O |