| SpectraBase Compound ID | 4ROCY7JujJo |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-12(2)4-3-11-20-15(18)9-10-16(19)21-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | WIZHHAFAQVZTBV-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 | IRsOkf8VvX5 |
|---|---|
| Name | Succinic acid, 4-bromophenyl isohexyl 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)4-3-11-20-15(18)9-10-16(19)21-14-7-5-13(17)6-8-14/h5-8,12H,3-4,9-11H2,1-2H3 |
| InChIKey | WIZHHAFAQVZTBV-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(CCC(OC1=CC=C(C=C1)Br)=O)(OCCCC(C)C)=O |