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Pinanediol - (1S,2S)-2-(Benzyloxy)-1-chlorooctaneboronate
SpectraBase Compound ID CBS0vsze9TU
InChI InChI=1S/C25H38BClO3/c1-5-6-7-11-14-20(28-17-18-12-9-8-10-13-18)23(27)26-29-22-16-19-15-21(24(19,2)3)25(22,4)30-26/h8-10,12-13,19-23H,5-7,11,14-17H2,1-4H3/t19-,20-,21-,22+,23+,25-/m0/s1
InChIKey YADPRUJSXVLRQE-NEVQENMISA-N
Mol Weight 432.8 g/mol
Molecular Formula C25H38BClO3
Exact Mass 432.260253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dw0mcIWqkJC
Name Pinanediol - (1S,2S)-2-(Benzyloxy)-1-chlorooctaneboronate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H38BClO3
InChI InChI=1S/C25H38BClO3/c1-5-6-7-11-14-20(28-17-18-12-9-8-10-13-18)23(27)26-29-22-16-19-15-21(24(19,2)3)25(22,4)30-26/h8-10,12-13,19-23H,5-7,11,14-17H2,1-4H3/t19-,20-,21-,22+,23+,25-/m0/s1
InChIKey YADPRUJSXVLRQE-NEVQENMISA-N
Molecular Weight 432.839 g/mol
SMILES [C@@]12([C@@]3(OB(O[C@@]3(C[C@@](C2(C)C)(C1)[H])[H])[C@](Cl)([C@](CCCCCC)(OCc1ccccc1)[H])[H])C)[H]
SPLASH splash10-0a4i-0109000000-3f7bd4f7cdb449a22bb8
Source of Spectrum F5-2-43-7
Synonyms (3aS,4S,6S,7aR)-2-((1S,2S)-2-(benzyloxy)-1-chlorooctyl)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
Wiley ID 1731665