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8-[(2R,3R,4S,6R)-4-chloro-6-hexyl-2-phenyl-3-oxanyl]octanoic acid methyl ester
SpectraBase Compound ID FbGwnJoKjFY
InChI InChI=1S/C26H41ClO3/c1-3-4-5-12-17-22-20-24(27)23(26(30-22)21-15-10-9-11-16-21)18-13-7-6-8-14-19-25(28)29-2/h9-11,15-16,22-24,26H,3-8,12-14,17-20H2,1-2H3/t22-,23+,24+,26+/m1/s1
InChIKey URMOPBPTRMLKJO-APFRJGHOSA-N
Mol Weight 437.1 g/mol
Molecular Formula C26H41ClO3
Exact Mass 436.274423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8H9Dw8yRj22
Name 8-[(2R,3R,4S,6R)-4-chloro-6-hexyl-2-phenyl-3-oxanyl]octanoic acid methyl ester
Alternate Name(s) 8-[(2R,3R,4S,6R)-4-chloro-6-hexyl-2-phenyl-tetrahydropyran-3-yl]caprylic acid methyl ester Methyl 8-[(2R,3R,4S,6R)-4-chloranyl-6-hexyl-2-phenyl-oxan-3-yl]octanoate Methyl 8-[(2R,3R,4S,6R)-4-chloro-6-hexyl-2-phenyl-tetrahydropyran-3-yl]octanoate Methyl 8-[(2R,3R,4S,6R)-4-chloro-6-hexyl-2-phenyloxan-3-yl]octanoate
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Formula C26H41ClO3
InChI InChI=1S/C26H41ClO3/c1-3-4-5-12-17-22-20-24(27)23(26(30-22)21-15-10-9-11-16-21)18-13-7-6-8-14-19-25(28)29-2/h9-11,15-16,22-24,26H,3-8,12-14,17-20H2,1-2H3/t22-,23+,24+,26+/m1/s1
InChIKey URMOPBPTRMLKJO-APFRJGHOSA-N
Molecular Weight 437.064 g/mol
SMILES [C@]1([C@]([C@@](Cl)(C[C@](O1)(CCCCCC)[H])[H])(CCCCCCCC(=O)OC)[H])(c1ccccc1)[H]
SPLASH splash10-0gvk-0091300000-539e44e372b1b4dab214
Source of Spectrum U1-0-2636-3
Wiley ID 1589957