| SpectraBase Compound ID | 4bx5K5HAauC |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-3-4-7(9)11-5-10-6(2)8/h3-5H2,1-2H3 |
| InChIKey | YMGRWJGJXLPWLG-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmRIZCJ0R6O |
|---|---|
| Name | Cellulose acetate butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.073558862 u |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-3-4-7(9)11-5-10-6(2)8/h3-5H2,1-2H3 |
| InChIKey | YMGRWJGJXLPWLG-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | C(OC(=O)CCC)OC(C)=O |