| SpectraBase Compound ID | Xlo0mWbol9 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-15(2)6-5-13-23-18(20)7-4-8-19(21)24-14-16-9-11-17(22-3)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | QXEOVHDTEQMVFT-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 | IEQ11wsP58b |
|---|---|
| Name | Glutaric acid, isohexyl 4-methoxybenzyl 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/c1-15(2)6-5-13-23-18(20)7-4-8-19(21)24-14-16-9-11-17(22-3)12-10-16/h9-12,15H,4-8,13-14H2,1-3H3 |
| InChIKey | QXEOVHDTEQMVFT-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | CC(C)CCCOC(CCCC(OCC1=CC=C(C=C1)OC)=O)=O |