| SpectraBase Compound ID | C9kODaX3aXj |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-2-3-10-20-15(18)7-8-16(19)21-11-9-13-5-4-6-14(17)12-13/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey | DYFAWBCUGNUVEW-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 | IjdX9f1A7ld |
|---|---|
| Name | Succinic acid, 3-bromophenethyl butyl 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/c1-2-3-10-20-15(18)7-8-16(19)21-11-9-13-5-4-6-14(17)12-13/h4-6,12H,2-3,7-11H2,1H3 |
| InChIKey | DYFAWBCUGNUVEW-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(CCC(OCCC1=CC=CC(=C1)Br)=O)(OCCCC)=O |