| SpectraBase Compound ID | JgFtYCKfX1i |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-4-7-14-22-18(20)16-12-8-9-13-17(16)19(21)23-15(10-5-2)11-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | ZAXDQMARDKFTCL-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 | 8kwtkE7kdZ2 |
|---|---|
| Name | Phthalic acid, butyl hept-4-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/c1-4-7-14-22-18(20)16-12-8-9-13-17(16)19(21)23-15(10-5-2)11-6-3/h8-9,12-13,15H,4-7,10-11,14H2,1-3H3 |
| InChIKey | ZAXDQMARDKFTCL-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=CC(=C(C=C1)C(OC(CCC)CCC)=O)C(OCCCC)=O |