| SpectraBase Compound ID | 50sojjEdcgy |
|---|---|
| InChI | InChI=1S/C20H29BrO4/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3 |
| InChIKey | FOJSGXBBOCGGKL-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 | EPyR0aXTZRQ |
|---|---|
| Name | Sebacic acid, 4-bromophenyl isobutyl 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/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3 |
| InChIKey | FOJSGXBBOCGGKL-UHFFFAOYSA-N |
| Molecular Weight | 413.352 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCC(C)C)=O |