| SpectraBase Compound ID | 3VWhlPg6qtt |
|---|---|
| InChI | InChI=1S/C13H25BrO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h12H,3-11H2,1-2H3 |
| InChIKey | AYJCEDJLCUYKOK-UHFFFAOYSA-N |
| Mol Weight | 293.25 g/mol |
| Molecular Formula | C13H25BrO2 |
| Exact Mass | 292.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 497Qfak5Umy |
|---|---|
| Name | 5-Bromopentanoic acid, 2-octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.103793043 u |
| Formula | C13H25BrO2 |
| InChI | InChI=1S/C13H25BrO2/c1-3-4-5-6-9-12(2)16-13(15)10-7-8-11-14/h12H,3-11H2,1-2H3 |
| InChIKey | AYJCEDJLCUYKOK-UHFFFAOYSA-N |
| SMILES | C(OC(CCCCBr)=O)(C)CCCCCC |