| SpectraBase Compound ID | Az4F2kw3FH5 |
|---|---|
| InChI | InChI=1S/C19H28O5/c1-3-4-5-8-14-23-18(20)12-9-13-19(21)24-15-16-10-6-7-11-17(16)22-2/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3 |
| InChIKey | AAUUTQXMYAJHBG-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 | KPQwSVRl4qb |
|---|---|
| Name | Glutaric acid, hexyl 2-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/c1-3-4-5-8-14-23-18(20)12-9-13-19(21)24-15-16-10-6-7-11-17(16)22-2/h6-7,10-11H,3-5,8-9,12-15H2,1-2H3 |
| InChIKey | AAUUTQXMYAJHBG-UHFFFAOYSA-N |
| Molecular Weight | 336.428 g/mol |
| SMILES | C(OCC=1C(OC)=CC=CC1)(=O)CCCC(OCCCCCC)=O |