| SpectraBase Compound ID | ey3CinYncb |
|---|---|
| InChI | InChI=1S/C22H27NO3/c1-2-26-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3 |
| InChIKey | LQGIXNQCOXNCRP-UHFFFAOYSA-N |
| Mol Weight | 353.46 g/mol |
| Molecular Formula | C22H27NO3 |
| Exact Mass | 353.199094 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 | 9Xd1G7AfHg0 |
|---|---|
| Name | Dioxaphetyl butyrate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.199093730 u |
| Formula | C22H27NO3 |
| InChI | InChI=1S/C22H27NO3/c1-2-26-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3 |
| InChIKey | LQGIXNQCOXNCRP-UHFFFAOYSA-N |
| Molecular Weight | 353.462 g/mol |
| SMILES | C(C(C(OCC)=O)(C1=CC=CC=C1)C1=CC=CC=C1)CN1CCOCC1 |