| SpectraBase Spectrum ID |
3DkKa76OjgR |
| Name |
2,5-Hexanediol, 4-methyl-2-phenyl-, [2S-(2R*,4R*,5S*)]- |
| CAS Registry Number |
89968-82-1 |
| Comments |
Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820998 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H20O2 |
| InChI |
InChI=1S/C13H20O2/c1-10(11(2)14)9-13(3,15)12-7-5-4-6-8-12/h4-8,10-11,14-15H,9H2,1-3H3/t10-,11+,13-/m0/s1 |
| InChIKey |
JIRKXSQMPNHASA-LOWVWBTDSA-N |
| Molecular Weight |
208.301 g/mol |
| SMILES |
O[C@@]([C@](C[C@@](c1ccccc1)(O)C)(C)[H])(C)[H] |
| SPLASH |
splash10-00b9-9500000000-202d87c7e2c380177008 |
| Source of Spectrum |
H-67-299-0 |
| Synonyms |
(2R,4S,5R)- and (2S,4S,5R)-4-methyl-2-phenyl-2,5-hexanediols
(2S,4S,5R)-4-methyl-2-phenyl-2,5-hexanediol |
| Wiley ID |
1207088 |
![2,5-Hexanediol, 4-methyl-2-phenyl-, [2S-(2R*,4R*,5S*)]-](/api/spectrum/3DkKa76OjgR/structure.png?h=300&w=458 "2,5-Hexanediol, 4-methyl-2-phenyl-, [2S-(2R*,4R*,5S*)]-")
