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(+)-Pinanediol (2-methylphenyl)methaneboronate
SpectraBase Compound ID D0lczmrBof0
InChI InChI=1S/C17H23BO2/c1-11-7-5-6-8-13(11)18-19-15-10-12-9-14(16(12,2)3)17(15,4)20-18/h5-8,12,14-15H,9-10H2,1-4H3/t12-,14-,15?,17-/m0/s1
InChIKey ZQXBQPXAYYEAGP-CHUXSZHVSA-N
Mol Weight 270.2 g/mol
Molecular Formula C17H23BO2
Exact Mass 270.17911 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExyK6DVrpte
Name (+)-Pinanediol (2-methylphenyl)methaneboronate
Alternate Name(s) (2S)-2,9,9-trimethyl-4-(2-methylphenyl)-3,5-dioxa-4-boratricyclo[6.1.1.0(2,6)]decane
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Formula C17H23BO2
InChI InChI=1S/C17H23BO2/c1-11-7-5-6-8-13(11)18-19-15-10-12-9-14(16(12,2)3)17(15,4)20-18/h5-8,12,14-15H,9-10H2,1-4H3/t12-,14-,15?,17-/m0/s1
InChIKey ZQXBQPXAYYEAGP-CHUXSZHVSA-N
Molecular Weight 270.179 g/mol
SMILES [C@]12(OB(OC1C[C@]1(C([C@@]2(C1)[H])(C)C)[H])c1c(C)cccc1)C
SPLASH splash10-0g59-6890000000-3242ef7a03764b9f462a
Source of Spectrum KD-16-2925-10
Wiley ID 1637863