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Pinanediol - hexaneboronate
SpectraBase Compound ID 2vmOZalY8Q6
InChI InChI=1S/C16H29BO2/c1-5-6-7-8-9-17-18-14-11-12-10-13(15(12,2)3)16(14,4)19-17/h12-14H,5-11H2,1-4H3/t12-,13-,14+,16-/m0/s1
InChIKey ZJCSBCNNPIUCRZ-AYDFFVQHSA-N
Mol Weight 264.2 g/mol
Molecular Formula C16H29BO2
Exact Mass 264.22606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29MFv0X7Fog
Name Pinanediol - hexaneboronate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H29BO2
InChI InChI=1S/C16H29BO2/c1-5-6-7-8-9-17-18-14-11-12-10-13(15(12,2)3)16(14,4)19-17/h12-14H,5-11H2,1-4H3/t12-,13-,14+,16-/m0/s1
InChIKey ZJCSBCNNPIUCRZ-AYDFFVQHSA-N
Molecular Weight 264.216 g/mol
SMILES [C@@]12(C([C@@](C2)(C[C@@]2([C@@]1(C)OB(CCCCCC)O2)[H])[H])(C)C)[H]
SPLASH splash10-05o1-9720000000-5f9a857012e6f316d932
Source of Spectrum F5-2-42-4
Synonyms (3aS,4S,6S,7aR)-2-hexyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
Wiley ID 1731668