| SpectraBase Compound ID | Jpj9ZI4jJj1 |
|---|---|
| InChI | InChI=1S/C21H31BrO5/c1-2-3-4-5-6-7-15-26-20(23)9-8-10-21(24)27-17-16-25-19-13-11-18(22)12-14-19/h11-14H,2-10,15-17H2,1H3 |
| InChIKey | GCFLAMZKIWXZEW-UHFFFAOYSA-N |
| Mol Weight | 443.38 g/mol |
| Molecular Formula | C21H31BrO5 |
| Exact Mass | 442.135487 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dm8J3rSNfY9 |
|---|---|
| Name | Glutaric acid, 2-(4-bromophenoxy)ethyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 442.135487093 u |
| Formula | C21H31BrO5 |
| InChI | InChI=1S/C21H31BrO5/c1-2-3-4-5-6-7-15-26-20(23)9-8-10-21(24)27-17-16-25-19-13-11-18(22)12-14-19/h11-14H,2-10,15-17H2,1H3 |
| InChIKey | GCFLAMZKIWXZEW-UHFFFAOYSA-N |
| Molecular Weight | 443.378 g/mol |
| SMILES | C(OCCOC1=CC=C(C=C1)Br)(=O)CCCC(OCCCCCCCC)=O |