| SpectraBase Compound ID | AOEiTCBmGCh |
|---|---|
| InChI | InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3 |
| InChIKey | HTPVUEJWIFHSCK-UHFFFAOYSA-N |
| Mol Weight | 220.31 g/mol |
| Molecular Formula | C14H20O2 |
| Exact Mass | 220.14633 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 | E469K3hN3d5 |
|---|---|
| Name | Thymyl isobutyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.146329882 u |
| Formula | C14H20O2 |
| InChI | InChI=1S/C14H20O2/c1-9(2)12-7-6-11(5)8-13(12)16-14(15)10(3)4/h6-10H,1-5H3 |
| InChIKey | HTPVUEJWIFHSCK-UHFFFAOYSA-N |
| Molecular Weight | 220.312 g/mol |
| SMILES | C(C(C)C)(=O)OC1=CC(C)=CC=C1C(C)C |