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(-)-Pinanediol (1S)-1-benzyloxy-3-[tert-butoxycarbonyl]propaneboronate
SpectraBase Compound ID AIUI4RyjBhx
InChI InChI=1S/C25H37BO5/c1-23(2,3)29-22(27)13-12-21(28-16-17-10-8-7-9-11-17)26-30-20-15-18-14-19(24(18,4)5)25(20,6)31-26/h7-11,18-21H,12-16H2,1-6H3/t18?,19?,20-,21+,25+/m0/s1
InChIKey BSXKFPUHEGJKDY-GQDZJNBVSA-N
Mol Weight 428.4 g/mol
Molecular Formula C25H37BO5
Exact Mass 428.273404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 57cWaJYn9sm
Name (-)-Pinanediol (1S)-1-benzyloxy-3-[tert-butoxycarbonyl]propaneboronate
Alternate Name(s) tert-Butyl (4S)-4-(benzyloxy)-4-[(2R,6S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.0(2,6)]dec-4-yl]butanoate
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Formula C25H37BO5
InChI InChI=1S/C25H37BO5/c1-23(2,3)29-22(27)13-12-21(28-16-17-10-8-7-9-11-17)26-30-20-15-18-14-19(24(18,4)5)25(20,6)31-26/h7-11,18-21H,12-16H2,1-6H3/t18?,19?,20-,21+,25+/m0/s1
InChIKey BSXKFPUHEGJKDY-GQDZJNBVSA-N
Molecular Weight 428.376 g/mol
SMILES [C@@]12(OB([C@](OCc3ccccc3)(CCC(OC(C)(C)C)=O)[H])O[C@]1(CC1CC2C1(C)C)[H])C
SPLASH splash10-0006-9510000000-f0fd2a6f07dc7b4eb5db
Source of Spectrum KC-61-4433-6
Wiley ID 1629042