| SpectraBase Compound ID | 795TArFHlvG |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-10(16-12(14)7-3)9(4)8-15-11(13)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | KBICWBXYXGCCJI-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8DSLKU3WBk3 |
|---|---|
| Name | Pentane-1,3-diol dipropionate, 2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-5-10(16-12(14)7-3)9(4)8-15-11(13)6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | KBICWBXYXGCCJI-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CCC(C(C)COC(=O)CC)OC(=O)CC |