| SpectraBase Spectrum ID |
2AOMCDwcWC3 |
| Name |
(S)-3-(4-Bromothiazol-2-yl)propane-1,2-diol |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.945912674 u |
| Formula |
C6H8BrNO2S |
| InChI |
InChI=1S/C6H8BrNO2S/c7-5-3-11-6(8-5)1-4(10)2-9/h3-4,9-10H,1-2H2/t4-/m0/s1 |
| InChIKey |
OUCPOTTZOWLQNI-BYPYZUCNSA-N |
| Instrument Name |
Finnigan MAT 8200 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201602125 |
| Optical Rotation |
[a]D20 = -13.0 (c = 1.0, CHCl3) |
| Quality |
168 |
| Reported Formula |
C6H8NO2BrS |
| SMILES |
OC[C@](CC=1SC=C(N1)Br)(O)[H] |
| SPLASH |
splash10-06vi-0690000000-a2a39fd8bdaa8001b554 |
| Sample Comments |
91% ee |
| Source of Spectrum |
ACI-55-SM6-6 (DOI: 10.1002/anie.201602125) |
| Wiley ID |
1897460 |
