| SpectraBase Compound ID | AI6RssMQoCL |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-5-14(4)12-21-17(19)10-11-18(20)23-16-9-7-6-8-15(16)22-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3 |
| InChIKey | ICIFLVRFLTZQNN-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 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 | L1OJlCeZRop |
|---|---|
| Name | Succinic acid, 2-isopropoxyphenyl 2-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 322.178023932 u |
| Formula | C18H26O5 |
| InChI | InChI=1S/C18H26O5/c1-5-14(4)12-21-17(19)10-11-18(20)23-16-9-7-6-8-15(16)22-13(2)3/h6-9,13-14H,5,10-12H2,1-4H3 |
| InChIKey | ICIFLVRFLTZQNN-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CCC(C)COC(CCC(OC1=C(C=CC=C1)OC(C)C)=O)=O |