| SpectraBase Compound ID | 9Z5510IATEJ |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey | LSORMESADRYXSA-UHFFFAOYSA-N |
| Mol Weight | 357.24 g/mol |
| Molecular Formula | C16H21BrO4 |
| Exact Mass | 356.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6da9ltsRPCp |
|---|---|
| Name | Succinic acid, 4-bromophenethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.062322152 u |
| Formula | C16H21BrO4 |
| InChI | InChI=1S/C16H21BrO4/c1-12(2)11-21-16(19)8-7-15(18)20-10-9-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3 |
| InChIKey | LSORMESADRYXSA-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCC(C)C)=O |