| SpectraBase Compound ID | J7ZG3GKMRAB |
|---|---|
| InChI | InChI=1S/C19H27BrO4/c1-3-4-5-6-7-13-23-18(21)11-12-19(22)24-15(2)16-9-8-10-17(20)14-16/h8-10,14-15H,3-7,11-13H2,1-2H3 |
| InChIKey | GCOMUWPXEHSMJE-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 | 9TSafi7PGmY |
|---|---|
| Name | Succinic acid, 1-(3-bromophenyl)ethyl heptyl 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/c1-3-4-5-6-7-13-23-18(21)11-12-19(22)24-15(2)16-9-8-10-17(20)14-16/h8-10,14-15H,3-7,11-13H2,1-2H3 |
| InChIKey | GCOMUWPXEHSMJE-UHFFFAOYSA-N |
| Molecular Weight | 399.325 g/mol |
| SMILES | C(CCC(OC(C=1C=C(C=CC1)Br)C)=O)(OCCCCCCC)=O |