SpectraBase Spectrum ID |
KSrkQLYE19g |
Name |
(2R,3R)-3-Phenyl-1,2-butanediol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
166.099379689 u |
Formula |
C10H14O2 |
InChI |
InChI=1S/C10H14O2/c1-8(10(12)7-11)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m1/s1 |
InChIKey |
FAZRWYMHXGYVGX-SCZZXKLOSA-N |
Molecular Weight |
166.220 g/mol |
SMILES |
[C@](C=1C=CC=CC1)([C@@](O)(CO)[H])(C)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83677 |