| SpectraBase Spectrum ID |
4ZtAw9Eyrdb |
| Name |
(1R,2R)-1-phenylpropane-1,2-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
152.083729624 u |
| Formula |
C9H12O2 |
| InChI |
InChI=1S/C9H12O2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9-11H,1H3/t7-,9+/m1/s1 |
| InChIKey |
MZQZXSHFWDHNOW-APPZFPTMSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201603410 |
| Molecular Weight |
152.193 g/mol |
| Optical Rotation |
[a]D23 = -61.2 (c = 0.87, CHCl3) |
| Quality |
188 |
| SMILES |
O[C@@]([C@@](C1=CC=CC=C1)(O)[H])(C)[H] |
| SPLASH |
splash10-0a6r-9800000000-5108bef669afdce42aac |
| Sample Comments |
87.4% ee |
| Source of Spectrum |
ACI-55-SM20-20-2 (DOI: 10.1002/anie.201603410) |
| Wiley ID |
1899078 |
