| SpectraBase Compound ID | 7UDmYpmEP5c |
|---|---|
| InChI | InChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3 |
| InChIKey | JUBMNPQMJVLLON-UHFFFAOYSA-N |
| Mol Weight | 210.32 g/mol |
| Molecular Formula | C13H22O2 |
| Exact Mass | 210.16198 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 | EwToY0NSX41 |
|---|---|
| Name | Fragranyl propanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.161979946 u |
| Formula | C13H22O2 |
| InChI | InChI=1S/C13H22O2/c1-5-12(14)15-9-8-13(4)7-6-11(13)10(2)3/h11H,2,5-9H2,1,3-4H3 |
| InChIKey | JUBMNPQMJVLLON-UHFFFAOYSA-N |
| Molecular Weight | 210.317 g/mol |
| SMILES | C1(C(CC1)C(=C)C)(CCOC(CC)=O)C |