| SpectraBase Compound ID | GpCosYxaa83 |
|---|---|
| InChI | InChI=1S/C13H21BrO3/c1-2-17-12(16)13(8-4-3-5-10-14)9-6-7-11(13)15/h2-10H2,1H3 |
| InChIKey | YDSJPIHQCYFAPR-UHFFFAOYSA-N |
| Mol Weight | 305.21 g/mol |
| Molecular Formula | C13H21BrO3 |
| Exact Mass | 304.067408 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DN7qNW60aZz |
|---|---|
| Name | 2-(5-Bromopentyl)-2-ethoxycarbonylcyclopentanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.067407533 u |
| Formula | C13H21BrO3 |
| InChI | InChI=1S/C13H21BrO3/c1-2-17-12(16)13(8-4-3-5-10-14)9-6-7-11(13)15/h2-10H2,1H3 |
| InChIKey | YDSJPIHQCYFAPR-UHFFFAOYSA-N |
| Molecular Weight | 305.212 g/mol |
| SMILES | C1(C(=O)OCC)(C(=O)CCC1)CCCCCBr |