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Benzeneacetic acid, .alpha.-[(2,6-dihexyltetrahydro-2H-pyran-4-yl)oxy]-, methyl ester
SpectraBase Compound ID JtpJgwTKkLp
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
Mol Weight 418.6 g/mol
Molecular Formula C26H42O4
Exact Mass 418.30831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cg68H80sqwM
Name Benzeneacetic acid, .alpha.-[(2,6-dihexyltetrahydro-2H-pyran-4-yl)oxy]-, methyl ester
Alternate Name(s) cis-4-[[.alpha.-(methoxycarbonyl)benzyl]oxy]-2,6-dihexyl-tetrahydropyran Methyl {[(2R,6S)-2,6-dihexyltetrahydro-2H-pyran-4-yl]oxy}(phenyl)acetate
CAS Registry Number 123464-17-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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])c1ccccc1
SPLASH splash10-0udi-1291000000-b75541794382784347e5
Source of Spectrum J-54-5773-5
Wiley ID 1377404