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4,7-Methano-1,3,2-dioxaborolo[4,5-c]oxepin-6(4H)-one, tetrahydro-7-hydroxy-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7.alpha.,8a.alpha.)]-
SpectraBase Compound ID 2OuQSCkKJpl
InChI InChI=1S/C13H13BO5/c15-12-13(16)6-9(17-12)11-10(7-13)18-14(19-11)8-4-2-1-3-5-8/h1-5,9-11,16H,6-7H2/t9-,10-,11+,13+/m0/s1
InChIKey MRDOIOQQDNONGF-MEWQQHAOSA-N
Mol Weight 260.1 g/mol
Molecular Formula C13H13BO5
Exact Mass 260.085604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CFhkAtE3Tq7
Name 4,7-Methano-1,3,2-dioxaborolo[4,5-c]oxepin-6(4H)-one, tetrahydro-7-hydroxy-2-phenyl-, [3aR-(3a.alpha.,4.beta.,7.alpha.,8a.alpha.)]-
CAS Registry Number 130474-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13BO5
InChI InChI=1S/C13H13BO5/c15-12-13(16)6-9(17-12)11-10(7-13)18-14(19-11)8-4-2-1-3-5-8/h1-5,9-11,16H,6-7H2/t9-,10-,11+,13+/m0/s1
InChIKey MRDOIOQQDNONGF-MEWQQHAOSA-N
Molecular Weight 260.052 g/mol
SMILES O[C@@]12C[C@@]3(OB(O[C@@]3([C@@](OC2=O)(C1)[H])[H])c1ccccc1)[H]
SPLASH splash10-0002-1910000000-354241287f70fb68dabc
Source of Spectrum F-46-4146-5
Synonyms (1R,3R,5R)-3,4-O,O'-phenylboronate quinide (1S,2S,6S,8S)-8-hydroxy-4-phenyl-3,5,10-trioxa-4-boratricyclo[6.2.1.0(2,6)]undecan-9-one
Wiley ID 1263505