| SpectraBase Compound ID | J2wNUHlFOhz |
|---|---|
| InChI | InChI=1S/C16H22O7/c1-4-5-9-22-14(17)10-21-11-15(18)23-16-12(19-2)7-6-8-13(16)20-3/h6-8H,4-5,9-11H2,1-3H3 |
| InChIKey | DLUQDQUHLWYTPN-UHFFFAOYSA-N |
| Mol Weight | 326.35 g/mol |
| Molecular Formula | C16H22O7 |
| Exact Mass | 326.136553 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 | 1UIT1Kug1Fo |
|---|---|
| Name | Diglycolic acid, butyl 2,6-dimethoxyphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.136553041 u |
| Formula | C16H22O7 |
| InChI | InChI=1S/C16H22O7/c1-4-5-9-22-14(17)10-21-11-15(18)23-16-12(19-2)7-6-8-13(16)20-3/h6-8H,4-5,9-11H2,1-3H3 |
| InChIKey | DLUQDQUHLWYTPN-UHFFFAOYSA-N |
| Molecular Weight | 326.345 g/mol |
| SMILES | C(COCC(=O)OCCCC)(=O)OC1=C(C=CC=C1OC)OC |