| SpectraBase Compound ID | BpbU1NzBRBf |
|---|---|
| InChI | InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-10-18-27-22(25)15-16-23(26)28-19-17-20-11-13-21(24)14-12-20/h11-14H,2-10,15-19H2,1H3 |
| InChIKey | BPXJBCNVLQJKAR-UHFFFAOYSA-N |
| Mol Weight | 455.4 g/mol |
| Molecular Formula | C23H35BrO4 |
| Exact Mass | 454.171873 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kfto3YqIYxg |
|---|---|
| Name | Succinic acid, 4-bromophenethyl undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 454.171872603 u |
| Formula | C23H35BrO4 |
| InChI | InChI=1S/C23H35BrO4/c1-2-3-4-5-6-7-8-9-10-18-27-22(25)15-16-23(26)28-19-17-20-11-13-21(24)14-12-20/h11-14H,2-10,15-19H2,1H3 |
| InChIKey | BPXJBCNVLQJKAR-UHFFFAOYSA-N |
| Molecular Weight | 455.433 g/mol |
| SMILES | C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCCCCCCC)=O |