| SpectraBase Compound ID | 2BpMrZjMkR3 |
|---|---|
| InChI | InChI=1S/C23H35BrO4/c1-4-7-8-9-10-11-12-13-18-27-21(25)23(5-2,6-3)22(26)28-20-16-14-19(24)15-17-20/h14-17H,4-13,18H2,1-3H3 |
| InChIKey | YQCMRTZCFOLARD-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 | Dv3LmgrpEQU |
|---|---|
| Name | Diethylmalonic acid, 4-bromophenyl decyl 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/c1-4-7-8-9-10-11-12-13-18-27-21(25)23(5-2,6-3)22(26)28-20-16-14-19(24)15-17-20/h14-17H,4-13,18H2,1-3H3 |
| InChIKey | YQCMRTZCFOLARD-UHFFFAOYSA-N |
| Molecular Weight | 455.433 g/mol |
| SMILES | CCC(C(OCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)Br)=O)CC |