| SpectraBase Compound ID | ERHm7xrdOB3 |
|---|---|
| InChI | InChI=1S/C19H28O4/c1-5-6-13-22-18(20)16-9-7-8-10-17(16)19(21)23-15(4)12-11-14(2)3/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | HUJYCFMNEYMHDD-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 | DqzwvIhTi2g |
|---|---|
| Name | Phthalic acid, 5-methylhex-2-yl butyl 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/c1-5-6-13-22-18(20)16-9-7-8-10-17(16)19(21)23-15(4)12-11-14(2)3/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | HUJYCFMNEYMHDD-UHFFFAOYSA-N |
| Molecular Weight | 320.429 g/mol |
| SMILES | C1=CC=CC(=C1C(OCCCC)=O)C(OC(C)CCC(C)C)=O |