| SpectraBase Compound ID | Hvxdd7juWDI |
|---|---|
| InChI | InChI=1S/C16H29BrO4/c1-14(2)13-21-16(19)10-8-9-15(18)20-12-7-5-3-4-6-11-17/h14H,3-13H2,1-2H3 |
| InChIKey | JVXRPAZHYNNTMX-UHFFFAOYSA-N |
| Mol Weight | 365.31 g/mol |
| Molecular Formula | C16H29BrO4 |
| Exact Mass | 364.124922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DZJ6i79hOod |
|---|---|
| Name | Glutaric acid, 7-bromoheptyl isobutyl 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/c1-14(2)13-21-16(19)10-8-9-15(18)20-12-7-5-3-4-6-11-17/h14H,3-13H2,1-2H3 |
| InChIKey | JVXRPAZHYNNTMX-UHFFFAOYSA-N |
| Molecular Weight | 365.308 g/mol |
| SMILES | C(CCCC(OCCCCCCCBr)=O)(OCC(C)C)=O |