| SpectraBase Compound ID | KS6BKMIJdXF |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-13(2)12-21-17(19)10-7-11-18(20)23-16-9-6-5-8-15(16)22-14(3)4/h5-6,8-9,13-14H,7,10-12H2,1-4H3 |
| InChIKey | UFXBHOHVQLFRST-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C18H26O5 |
| Exact Mass | 322.178024 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HkQLtoA4Szf |
|---|---|
| Name | Glutaric acid, isobutyl 2-isopropoxyphenyl 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/c1-13(2)12-21-17(19)10-7-11-18(20)23-16-9-6-5-8-15(16)22-14(3)4/h5-6,8-9,13-14H,7,10-12H2,1-4H3 |
| InChIKey | UFXBHOHVQLFRST-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | CC(C)COC(CCCC(OC1=CC=CC=C1OC(C)C)=O)=O |