| SpectraBase Compound ID | Cy9cCbB6tMV |
|---|---|
| InChI | InChI=1S/C9H16O4/c1-6(12-8(3)10)5-7(2)13-9(4)11/h6-7H,5H2,1-4H3 |
| InChIKey | CUSIRZGMYUQIBF-UHFFFAOYSA-N |
| Mol Weight | 188.22 g/mol |
| Molecular Formula | C9H16O4 |
| Exact Mass | 188.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Bbni8fTCo5T |
|---|---|
| Name | 2,4-Diacetoxypentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.104858991 u |
| Formula | C9H16O4 |
| InChI | InChI=1S/C9H16O4/c1-6(12-8(3)10)5-7(2)13-9(4)11/h6-7H,5H2,1-4H3 |
| InChIKey | CUSIRZGMYUQIBF-UHFFFAOYSA-N |
| Molecular Weight | 188.223 g/mol |
| SMILES | CC(OC(C)CC(OC(C)=O)C)=O |