| SpectraBase Compound ID | 2U429Jl2zw3 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-4-5-12-23-18(20)16-8-6-7-9-17(16)19(21)24-14-11-15(2)10-13-22-3/h6-9,15H,4-5,10-14H2,1-3H3 |
| InChIKey | ITVWTIWUWIVLKL-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 | 1AWUbLUtLzD |
|---|---|
| Name | Phthalic acid, butyl 5-methoxy-3-methylpentyl 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/c1-4-5-12-23-18(20)16-8-6-7-9-17(16)19(21)24-14-11-15(2)10-13-22-3/h6-9,15H,4-5,10-14H2,1-3H3 |
| InChIKey | ITVWTIWUWIVLKL-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(COC(C1=C(C=CC=C1)C(OCCC(CCOC)C)=O)=O)CC |