| SpectraBase Compound ID | JEh44JhAdqQ |
|---|---|
| InChI | InChI=1S/C20H29BrO4/c1-2-3-10-15-24-19(22)17-12-7-8-13-18(17)20(23)25-16-11-6-4-5-9-14-21/h7-8,12-13H,2-6,9-11,14-16H2,1H3 |
| InChIKey | MOEASUZEFMZIGG-UHFFFAOYSA-N |
| Mol Weight | 413.35 g/mol |
| Molecular Formula | C20H29BrO4 |
| Exact Mass | 412.124922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9CNfm0HXLU9 |
|---|---|
| Name | Phthalic acid, 7-bromoheptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 412.124922410 u |
| Formula | C20H29BrO4 |
| InChI | InChI=1S/C20H29BrO4/c1-2-3-10-15-24-19(22)17-12-7-8-13-18(17)20(23)25-16-11-6-4-5-9-14-21/h7-8,12-13H,2-6,9-11,14-16H2,1H3 |
| InChIKey | MOEASUZEFMZIGG-UHFFFAOYSA-N |
| Molecular Weight | 413.352 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OCCCCC)=O)C(OCCCCCCCBr)=O |