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(2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy-1'-(3,4-methylenedioxyphenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
SpectraBase Compound ID CYJn8l6Poav
InChI InChI=1S/C21H22O6/c1-20(2,3)19-26-18(23)21(27-19,14-7-5-4-6-8-14)17(22)13-9-10-15-16(11-13)25-12-24-15/h4-11,17,19,22H,12H2,1-3H3/t17-,19+,21+/m0/s1
InChIKey FWEHSZWRCVADMB-FBBABVLZSA-N
Mol Weight 370.4 g/mol
Molecular Formula C21H22O6
Exact Mass 370.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9gWOReeqEpD
Name (2S,5R,1'S)-2-(tert-butyl)-5-[1'-hydroxy-1'-(3,4-methylenedioxyphenyl)methyl]-5-phenyl-1,3-dioxolane-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O6
InChI InChI=1S/C21H22O6/c1-20(2,3)19-26-18(23)21(27-19,14-7-5-4-6-8-14)17(22)13-9-10-15-16(11-13)25-12-24-15/h4-11,17,19,22H,12H2,1-3H3/t17-,19+,21+/m0/s1
InChIKey FWEHSZWRCVADMB-FBBABVLZSA-N
Molecular Weight 370.401 g/mol
SMILES O[C@]([C@@]1(C(O[C@](O1)(C(C)(C)C)[H])=O)c1ccccc1)(c1cc2OCOc2cc1)[H]
SPLASH splash10-0fk9-7980000000-02676fe47e51e3047bfe
Source of Spectrum F-67-886-7fa
Wiley ID 1685533