| SpectraBase Compound ID | ILMIPUvSGi3 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-6-8-11-15(3)23-19(21)17-13-10-9-12-16(17)18(20)22-14-7-5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | DWXDVYGPPSHTFU-UHFFFAOYSA-N |
| Mol Weight | 320.43 g/mol |
| Molecular Formula | C19H28O4 |
| Exact Mass | 320.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bb1EAAdqZV |
|---|---|
| Name | Phthalic acid, butyl hept-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.198759378 u |
| Formula | C19H28O4 |
| InChI | InChI=1S/C19H28O4/c1-4-6-8-11-15(3)23-19(21)17-13-10-9-12-16(17)18(20)22-14-7-5-2/h9-10,12-13,15H,4-8,11,14H2,1-3H3 |
| InChIKey | DWXDVYGPPSHTFU-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OC(C)CCCCC)=O)C(OCCCC)=O |