| SpectraBase Compound ID | HKfCvbi41zt |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-2-3-4-11-20-15(18)9-10-16(19)21-12-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | XNAVGPSLUOIRFF-UHFFFAOYSA-N |
| Mol Weight | 357.24 g/mol |
| Molecular Formula | C16H21BrO4 |
| Exact Mass | 356.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | IvjQbyCxBSk |
|---|---|
| Name | Succinic acid, 4-bromobenzyl pentyl 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/c1-2-3-4-11-20-15(18)9-10-16(19)21-12-13-5-7-14(17)8-6-13/h5-8H,2-4,9-12H2,1H3 |
| InChIKey | XNAVGPSLUOIRFF-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(OC(=O)CCC(OCCCCC)=O)C1=CC=C(C=C1)Br |