| SpectraBase Compound ID | LoqRJxiTBki |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | MCXWUHMDAJQKBI-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JkMInontZx1 |
|---|---|
| Name | Phthalic acid, 3-methylbutyl pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3 |
| InChIKey | MCXWUHMDAJQKBI-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=C(C(=CC=C1)C(OCCCCC)=O)C(OCCC(C)C)=O |