| SpectraBase Compound ID | 4ADG2OPZSRT |
|---|---|
| InChI | InChI=1S/C13H16O5/c1-4-7-17-13(15)10-5-6-11(18-9(2)14)12(8-10)16-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | OHEAJKSGPXTBFQ-UHFFFAOYSA-N |
| Mol Weight | 252.27 g/mol |
| Molecular Formula | C13H16O5 |
| Exact Mass | 252.099774 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 | 87kLKzpXYvc |
|---|---|
| Name | Propyl vanillate, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.099773610 u |
| Formula | C13H16O5 |
| InChI | InChI=1S/C13H16O5/c1-4-7-17-13(15)10-5-6-11(18-9(2)14)12(8-10)16-3/h5-6,8H,4,7H2,1-3H3 |
| InChIKey | OHEAJKSGPXTBFQ-UHFFFAOYSA-N |
| Molecular Weight | 252.266 g/mol |
| SMILES | C(C1=CC(OC)=C(C=C1)OC(C)=O)(=O)OCCC |