| SpectraBase Compound ID | 9tvgHrCzOJD |
|---|---|
| InChI | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 |
| InChIKey | IIRDTKBZINWQAW-UHFFFAOYSA-N |
| Mol Weight | 282.33 g/mol |
| Molecular Formula | C12H26O7 |
| Exact Mass | 282.167853 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 674lG4IGuV7 |
|---|---|
| Name | PEG_PEG-6 |
| Copyright | Copyright © 2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.167853170 u |
| Formula | C12H26O7 |
| InChI | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 |
| InChIKey | IIRDTKBZINWQAW-UHFFFAOYSA-N |
| Ion Polarity | P |
| Literature Reference | Koelmel, J. P.; Stelben, P.; Oranzi, N.; Kummer, M.; Godri, D.; Qi, J.; Rennie, E. E.; Lin, E.; Weil, D.; Godri, K. J. PolyMatch: Novel Libraries, Algorithms, and Visualizations for Discovering Polymers and Chemical Series. Journal of the American Society for Mass Spectrometry 2024, 35 (3), 413–420. |
| Literature Reference DOI | 10.1021/jasms.3c00313 |
| Precursor Ion | [M+NH4]+ |
| Precursor m/z | 300.202 |
| SMILES | OCCOCCOCCOCCOCCOCCO |
| Sample Comments | PEG = polyethylene glycol |