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[(2R,4R)-4-acetoxy-2-ethoxy-5-phenylsulfanyl-3,4-dihydro-2H-pyran-6-yl]methyl benzoate
SpectraBase Compound ID DkiIni58DtG
InChI InChI=1S/C23H24O6S/c1-3-26-21-14-19(28-16(2)24)22(30-18-12-8-5-9-13-18)20(29-21)15-27-23(25)17-10-6-4-7-11-17/h4-13,19,21H,3,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKey JDYARQGKUFBJFJ-TZIWHRDSSA-N
Mol Weight 428.5 g/mol
Molecular Formula C23H24O6S
Exact Mass 428.12936 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DS0yOF1Tx4l
Name [(2R,4R)-4-acetoxy-2-ethoxy-5-phenylsulfanyl-3,4-dihydro-2H-pyran-6-yl]methyl benzoate
Alternate Name(s) benzoic acid [(2R,4R)-4-acetyloxy-2-ethoxy-5-(phenylthio)-3,4-dihydro-2H-pyran-6-yl]methyl ester [(2R,4R)-4-acetyloxy-2-ethoxy-5-phenylsulfanyl-3,4-dihydro-2H-pyran-6-yl]methyl benzoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O6S
InChI InChI=1S/C23H24O6S/c1-3-26-21-14-19(28-16(2)24)22(30-18-12-8-5-9-13-18)20(29-21)15-27-23(25)17-10-6-4-7-11-17/h4-13,19,21H,3,14-15H2,1-2H3/t19-,21-/m1/s1
InChIKey JDYARQGKUFBJFJ-TZIWHRDSSA-N
Molecular Weight 428.499 g/mol
SMILES C1(=C(O[C@](C[C@]1(OC(=O)C)[H])(OCC)[H])COC(=O)c1ccccc1)Sc1ccccc1
SPLASH splash10-004i-0000900000-4c5e06c5e403eec91745
Source of Spectrum SO-0-902-5
Wiley ID 1539635