| SpectraBase Compound ID | EDpKAw1CU39 |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-5-10-13(4)16(6-2)22-18(20)15-12-9-8-11-14(15)17(19)21-7-3/h8-9,11-13,16H,5-7,10H2,1-4H3 |
| InChIKey | KQBLOTIFIHRUBV-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 | 4T33nC5kApn |
|---|---|
| Name | Phthalic acid, ethyl 4-methylhept-3-yl 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/c1-5-10-13(4)16(6-2)22-18(20)15-12-9-8-11-14(15)17(19)21-7-3/h8-9,11-13,16H,5-7,10H2,1-4H3 |
| InChIKey | KQBLOTIFIHRUBV-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(C1=CC=CC=C1C(OC(CC)C(C)CCC)=O)(OCC)=O |