| SpectraBase Compound ID | 4COb0Z3m9wu |
|---|---|
| InChI | InChI=1S/C16H29BrO4/c1-2-3-13-20-15(18)10-9-11-16(19)21-14-8-6-4-5-7-12-17/h2-14H2,1H3 |
| InChIKey | RQQAYDFABWDVDI-UHFFFAOYSA-N |
| Mol Weight | 365.31 g/mol |
| Molecular Formula | C16H29BrO4 |
| Exact Mass | 364.124922 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 | 1clNYwAuQP3 |
|---|---|
| Name | Glutaric acid, butyl 7-bromoheptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 364.124922410 u |
| Formula | C16H29BrO4 |
| InChI | InChI=1S/C16H29BrO4/c1-2-3-13-20-15(18)10-9-11-16(19)21-14-8-6-4-5-7-12-17/h2-14H2,1H3 |
| InChIKey | RQQAYDFABWDVDI-UHFFFAOYSA-N |
| Molecular Weight | 365.308 g/mol |
| SMILES | C(CCCC(OCCCCCCCBr)=O)(OCCCC)=O |