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((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate

View entire compound with spectra: 1 MS (GC)

((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
SpectraBase Compound ID ArbjJCErKcK
InChI InChI=1S/C25H35BO9/c1-22(2)23(3,4)35-26(34-22)15-11-9-14(10-12-15)20(27)28-13-16-17-18(31-24(5,6)30-17)19-21(29-16)33-25(7,8)32-19/h9-12,16-19,21H,13H2,1-8H3/t16-,17+,18+,19-,21-/m1/s1
InChIKey LXEXXBBDIBVDTG-WVXKDWSHSA-N
Mol Weight 490.4 g/mol
Molecular Formula C25H35BO9
Exact Mass 490.237413 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIwtZ2RJiFG
Name ((3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-yl)methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
Appearance Yellowish viscous oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35BO9
InChI InChI=1S/C25H35BO9/c1-22(2)23(3,4)35-26(34-22)15-11-9-14(10-12-15)20(27)28-13-16-17-18(31-24(5,6)30-17)19-21(29-16)33-25(7,8)32-19/h9-12,16-19,21H,13H2,1-8H3/t16-,17+,18+,19-,21-/m1/s1
InChIKey LXEXXBBDIBVDTG-WVXKDWSHSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/chem.201904842
Molecular Weight 490.356 g/mol
Reported Formula C25H35O9B
SMILES c1(ccc(cc1)B1OC(C(O1)(C)C)(C)C)C(=O)OC[C@]1(O[C@]2([C@@]([C@@]3([C@]1(OC(O3)(C)C)[H])[H])(OC(O2)(C)C)[H])[H])[H]
SPLASH splash10-001i-3980000000-88b1703f0705b550e9fa
Source of Spectrum QE-26-SM13-4u
Wiley ID 1858654