| SpectraBase Compound ID | B9cMJIMoEpb |
|---|---|
| InChI | InChI=1S/C17H31BrO4/c1-2-3-8-14-21-16(19)11-10-12-17(20)22-15-9-6-4-5-7-13-18/h2-15H2,1H3 |
| InChIKey | YUQCILOGAYBLPI-UHFFFAOYSA-N |
| Mol Weight | 379.34 g/mol |
| Molecular Formula | C17H31BrO4 |
| Exact Mass | 378.140572 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 212GBAD69j5 |
|---|---|
| Name | Glutaric acid, 7-bromoheptyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.140572474 u |
| Formula | C17H31BrO4 |
| InChI | InChI=1S/C17H31BrO4/c1-2-3-8-14-21-16(19)11-10-12-17(20)22-15-9-6-4-5-7-13-18/h2-15H2,1H3 |
| InChIKey | YUQCILOGAYBLPI-UHFFFAOYSA-N |
| Molecular Weight | 379.335 g/mol |
| SMILES | C(CCCC(OCCCCCCCBr)=O)(OCCCCC)=O |