| SpectraBase Compound ID | BDJaFKiDsaM |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-5-6-12-23-18(20)16-9-7-8-10-17(16)19(21)24-15(3)14(2)11-13-22-4/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | OLNHBMBDLQQATA-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 18wSeWSSJKA |
|---|---|
| Name | Phthalic acid, butyl 5-methoxy-3-methylpent-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.193673997 u |
| Formula | C19H28O5 |
| InChI | InChI=1S/C19H28O5/c1-5-6-12-23-18(20)16-9-7-8-10-17(16)19(21)24-15(3)14(2)11-13-22-4/h7-10,14-15H,5-6,11-13H2,1-4H3 |
| InChIKey | OLNHBMBDLQQATA-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OC(C)C(CCOC)C)=O)(OCCCC)=O |