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(2-Methoxy-phenyl)-acetic acid (1R,2R)-2-[2-(2-methoxy-phenyl)-acetoxy]-1-(6-oxo-6H-pyran-2-yl)-pentyl ester
SpectraBase Compound ID DJZOq3y1KyE
InChI InChI=1S/C28H30O8/c1-4-10-23(35-26(30)17-19-11-5-7-13-21(19)32-2)28(24-15-9-16-25(29)34-24)36-27(31)18-20-12-6-8-14-22(20)33-3/h5-9,11-16,23,28H,4,10,17-18H2,1-3H3/t23-,28-/m1/s1
InChIKey SWVBZZHWQWUWQH-QDPGVEIFSA-N
Mol Weight 494.54 g/mol
Molecular Formula C28H30O8
Exact Mass 494.194068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gvj0Y8Ak27E
Name (2-Methoxy-phenyl)-acetic acid (1R,2R)-2-[2-(2-methoxy-phenyl)-acetoxy]-1-(6-oxo-6H-pyran-2-yl)-pentyl ester
Alternate Name(s) Bis-(R)-MPA ester of 6-[(2'R,2'S)-dihydroxypentyl]-2H-pyran-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30O8
InChI InChI=1S/C28H30O8/c1-4-10-23(35-26(30)17-19-11-5-7-13-21(19)32-2)28(24-15-9-16-25(29)34-24)36-27(31)18-20-12-6-8-14-22(20)33-3/h5-9,11-16,23,28H,4,10,17-18H2,1-3H3/t23-,28-/m1/s1
InChIKey SWVBZZHWQWUWQH-QDPGVEIFSA-N
Molecular Weight 494.540 g/mol
SMILES C=1([C@](OC(Cc2c(OC)cccc2)=O)([C@](OC(Cc2c(OC)cccc2)=O)(CCC)[H])[H])OC(=O)C=CC1
SPLASH splash10-00lu-2490100000-7b569a21e4332d2124d6
Source of Spectrum F-65-4838-12a
Wiley ID 1679901