| SpectraBase Compound ID | 7QcykLPZL6v |
|---|---|
| InChI | InChI=1S/C5H12O2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3 |
| InChIKey | KCHNMIKAMRQBHD-UHFFFAOYSA-N |
| Mol Weight | 104.15 g/mol |
| Molecular Formula | C5H12O2 |
| Exact Mass | 104.08373 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1d46CsjJ95F |
|---|---|
| Name | Hydroperoxide, pentyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.083729624 u |
| Formula | C5H12O2 |
| InChI | InChI=1S/C5H12O2/c1-2-3-4-5-7-6/h6H,2-5H2,1H3 |
| InChIKey | KCHNMIKAMRQBHD-UHFFFAOYSA-N |
| Molecular Weight | 104.149 g/mol |
| SMILES | C(CCOO)CC |