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4,7-Methano-1,3,2-dioxaborolo[4,5-c]oxepin-6(4H)-one, 7-(acetyloxy)tetrahydro-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7.alpha.,8a.alpha.)]-
SpectraBase Compound ID 3NcxKUZLel
InChI InChI=1S/C15H15BO6/c1-9(17)20-15-7-11(19-14(15)18)13-12(8-15)21-16(22-13)10-5-3-2-4-6-10/h2-6,11-13H,7-8H2,1H3/t11-,12-,13+,15+/m1/s1
InChIKey MKSVFZQAFSITND-CXTNEJHOSA-N
Mol Weight 302.1 g/mol
Molecular Formula C15H15BO6
Exact Mass 302.096168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1C1C3nxoUko
Name 4,7-Methano-1,3,2-dioxaborolo[4,5-c]oxepin-6(4H)-one, 7-(acetyloxy)tetrahydro-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7.alpha.,8a.alpha.)]-
CAS Registry Number 130474-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15BO6
InChI InChI=1S/C15H15BO6/c1-9(17)20-15-7-11(19-14(15)18)13-12(8-15)21-16(22-13)10-5-3-2-4-6-10/h2-6,11-13H,7-8H2,1H3/t11-,12-,13+,15+/m1/s1
InChIKey MKSVFZQAFSITND-CXTNEJHOSA-N
Molecular Weight 302.089 g/mol
SMILES [C@]12(OB(O[C@@]1(C[C@@]1(C(O[C@@]2(C1)[H])=O)OC(=O)C)[H])c1ccccc1)[H]
SPLASH splash10-0002-2900000000-333ba857d47ede1e7004
Source of Spectrum F-46-4147-15
Synonyms (1R,2R,6R,8R)-9-oxo-4-phenyl-3,5,10-trioxa-4-boratricyclo[6.2.1.0(2,6)]undec-8-yl acetate (1R,3R,4R,5R)-3,4-O,O'-phenylboronate quinide acetate
Wiley ID 1304421