| SpectraBase Spectrum ID |
E0QKtHNE0Oy |
| Name |
Benzeneacetic acid, .alpha.-[(2,6-dihexyltetrahydro-2H-pyran-4-yl)oxy]-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.308309828 u |
| Formula |
C26H42O4 |
| InChI |
InChI=1S/C26H42O4/c1-4-6-8-13-17-22-19-24(20-23(29-22)18-14-9-7-5-2)30-25(26(27)28-3)21-15-11-10-12-16-21/h10-12,15-16,22-25H,4-9,13-14,17-20H2,1-3H3/t22-,23+,24?,25? |
| InChIKey |
DFTSTGXWRRQQDG-KFULVZMISA-N |
| Molecular Weight |
418.618 g/mol |
| SMILES |
C(C(=O)OC)(OC1C[C@](CCCCCC)(O[C@@](C1)(CCCCCC)[H])[H])C1=CC=CC=C1 |
![Benzeneacetic acid, .alpha.-[(2,6-dihexyltetrahydro-2H-pyran-4-yl)oxy]-, methyl ester](/api/spectrum/E0QKtHNE0Oy/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.-[(2,6-dihexyltetrahydro-2H-pyran-4-yl)oxy]-, methyl ester")
