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Pinanediol - (1R)-1-(Benzyloxy)heptaneboronate
SpectraBase Compound ID 3BjeFRn8H0i
InChI InChI=1S/C24H37BO3/c1-5-6-7-11-14-22(26-17-18-12-9-8-10-13-18)25-27-21-16-19-15-20(23(19,2)3)24(21,4)28-25/h8-10,12-13,19-22H,5-7,11,14-17H2,1-4H3/t19-,20-,21+,22-,24-/m0/s1
InChIKey IJRRAGKGMZPCPF-UOAPUEHGSA-N
Mol Weight 384.4 g/mol
Molecular Formula C24H37BO3
Exact Mass 384.283575 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qsnmEE5hsF
Name Pinanediol - (1R)-1-(Benzyloxy)heptaneboronate
Alternate Name(s) (3aS,4S,6S,7aR)-2-((R)-1-(benzyloxy)heptyl)-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
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Formula C24H37BO3
InChI InChI=1S/C24H37BO3/c1-5-6-7-11-14-22(26-17-18-12-9-8-10-13-18)25-27-21-16-19-15-20(23(19,2)3)24(21,4)28-25/h8-10,12-13,19-22H,5-7,11,14-17H2,1-4H3/t19-,20-,21+,22-,24-/m0/s1
InChIKey IJRRAGKGMZPCPF-UOAPUEHGSA-N
Molecular Weight 384.367 g/mol
SMILES [C@@]12(C([C@@](C2)(C[C@@]2([H])OB([C@](CCCCCC)(OCc3ccccc3)[H])O[C@@]12C)[H])(C)C)[H]
SPLASH splash10-052o-9300000000-2368a287ffb12bee6d41
Source of Spectrum F5-2-43-6
Wiley ID 1731666