| SpectraBase Spectrum ID |
FN7jH0cxH4m |
| Name |
(S)-(+)-Pinanediol (1R)-1-(methylsulfonylamino)-1-ethaneboronate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H24BNO4S |
| InChI |
InChI=1S/C13H24BNO4S/c1-8(15-20(5,16)17)14-18-11-7-9-6-10(12(9,2)3)13(11,4)19-14/h8-11,15H,6-7H2,1-5H3/t8-,9?,10?,11?,13-/m0/s1 |
| InChIKey |
SGWTUBIDFDHYCG-IQCCPRIESA-N |
| Instrument Name |
HP 5890-5972 |
| Ionization Type |
EI |
| Molecular Weight |
301.208 g/mol |
| Optical Rotation |
[a]D = +8.7 (c = 0.4, MeOH) |
| SMILES |
N([C@](B1OC2[C@](C3C(C(C2)C3)(C)C)(O1)C)(C)[H])S(C)(=O)=O |
| SPLASH |
splash10-0ug0-8920000000-be825da23c8ccc5de5b7 |
| Source of Spectrum |
WO2013056163A1 |
| Wiley ID |
1849531 |
