| SpectraBase Compound ID | 4HSdjiVLxqR |
|---|---|
| InChI | InChI=1S/C13H18O3/c1-2-15-13(14)10-6-7-11-16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3 |
| InChIKey | DNCNZDFEQZJZEN-UHFFFAOYSA-N |
| Mol Weight | 222.28 g/mol |
| Molecular Formula | C13H18O3 |
| Exact Mass | 222.125594 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 | 64Qj3PgGAb4 |
|---|---|
| Name | Pentanoic acid, 5-phenoxy-, ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.125594437 u |
| Formula | C13H18O3 |
| InChI | InChI=1S/C13H18O3/c1-2-15-13(14)10-6-7-11-16-12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3 |
| InChIKey | DNCNZDFEQZJZEN-UHFFFAOYSA-N |
| Molecular Weight | 222.284 g/mol |
| SMILES | C(OC1=CC=CC=C1)CCCC(OCC)=O |