| SpectraBase Compound ID | 640j3gcIVoY |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-13(2)12-23-18(20)16-8-6-7-9-17(16)19(21)24-15(4)14(3)10-11-22-5/h6-9,13-15H,10-12H2,1-5H3 |
| InChIKey | IUOHLGVFHHSBKZ-UHFFFAOYSA-N |
| Mol Weight | 336.43 g/mol |
| Molecular Formula | C19H28O5 |
| Exact Mass | 336.193674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Kdo0VN1Nhya |
|---|---|
| Name | Phthalic acid, isobutyl 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/c1-13(2)12-23-18(20)16-8-6-7-9-17(16)19(21)24-15(4)14(3)10-11-22-5/h6-9,13-15H,10-12H2,1-5H3 |
| InChIKey | IUOHLGVFHHSBKZ-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(C1=C(C=CC=C1)C(OC(C)C(CCOC)C)=O)(OCC(C)C)=O |