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2-(S)-(o-Anisyloxy)butanoic Acid (R)-Pantolactone Ester
SpectraBase Compound ID 7Fcque7VY9Y
InChI InChI=1S/C17H22O6/c1-5-11(22-13-9-7-6-8-12(13)20-4)15(18)21-10-17(2,3)14-16(19)23-14/h6-9,11,14H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKey CLKYFBWPRSVBKC-BXUZGUMPSA-N
Mol Weight 322.36 g/mol
Molecular Formula C17H22O6
Exact Mass 322.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AuQg8Pla08B
Name 2-(S)-(o-Anisyloxy)butanoic Acid (R)-Pantolactone Ester
Alternate Name(s) 2-Methyl-2-[(2S)-3-oxooxiranyl]propyl 2-(2-methoxyphenoxy)butanoate
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Formula C17H22O6
InChI InChI=1S/C17H22O6/c1-5-11(22-13-9-7-6-8-12(13)20-4)15(18)21-10-17(2,3)14-16(19)23-14/h6-9,11,14H,5,10H2,1-4H3/t11-,14-/m1/s1
InChIKey CLKYFBWPRSVBKC-BXUZGUMPSA-N
Molecular Weight 322.357 g/mol
SMILES C1(O[C@]1(C(COC([C@](Oc1c(OC)cccc1)(CC)[H])=O)(C)C)[H])=O
SPLASH splash10-00di-2903000000-852274f1739c2330e663
Source of Spectrum J-59-4685-3
Wiley ID 1321603