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(1S,1'S,2R,2'R,4S,4'S,5R,5'R) 4,4'-Bis[2-phenyl-3,6-dioxabicyclo[3.2.1]octan-7-one]
SpectraBase Compound ID 4zoRNuj3NTl
InChI InChI=1S/C24H22O6/c25-23-15-11-17(27-23)21(29-19(15)13-7-3-1-4-8-13)22-18-12-16(24(26)28-18)20(30-22)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17+,18+,19+,20+,21+,22+/m0/s1
InChIKey SDZXLITZGPHXPW-PHNATIPLSA-N
Mol Weight 406.43 g/mol
Molecular Formula C24H22O6
Exact Mass 406.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYxQkVAewLF
Name (1S,1'S,2R,2'R,4S,4'S,5R,5'R) 4,4'-Bis[2-phenyl-3,6-dioxabicyclo[3.2.1]octan-7-one]
Comments Removed - expert review: contamination (DOP)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22O6
InChI InChI=1S/C24H22O6/c25-23-15-11-17(27-23)21(29-19(15)13-7-3-1-4-8-13)22-18-12-16(24(26)28-18)20(30-22)14-9-5-2-6-10-14/h1-10,15-22H,11-12H2/t15-,16-,17+,18+,19+,20+,21+,22+/m0/s1
InChIKey SDZXLITZGPHXPW-PHNATIPLSA-N
Molecular Weight 406.434 g/mol
SMILES [C@@]12(C(O[C@@]([C@@]([C@@]3(O[C@](c4ccccc4)([C@@]4(C[C@]3(OC4=O)[H])[H])[H])[H])([H])O[C@@]2(c2ccccc2)[H])(C1)[H])=O)[H]
SPLASH splash10-0002-3910000000-b92637f31190946f7b5c
Source of Spectrum F-68-2446-9
Wiley ID 1572123