| SpectraBase Compound ID | EJHfghHL0cP |
|---|---|
| InChI | InChI=1S/C18H26O5/c1-6-7-12-21-16(19)18(4,5)17(20)23-15-11-9-8-10-14(15)22-13(2)3/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | WUFPZXQTCWKJOP-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 | LY72Pq0MM4G |
|---|---|
| Name | Dimethylmalonic acid, butyl 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/c1-6-7-12-21-16(19)18(4,5)17(20)23-15-11-9-8-10-14(15)22-13(2)3/h8-11,13H,6-7,12H2,1-5H3 |
| InChIKey | WUFPZXQTCWKJOP-UHFFFAOYSA-N |
| Molecular Weight | 322.401 g/mol |
| SMILES | C1=CC=C(C(=C1)OC(=O)C(C)(C)C(=O)OCCCC)OC(C)C |