| SpectraBase Spectrum ID |
7xmTi3wrXh2 |
| Name |
(2S)-2-Hydroxy-3-methyl-1-phenyl-1-butanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.099379689 u |
| Formula |
C11H14O2 |
| InChI |
InChI=1S/C11H14O2/c1-8(2)10(12)11(13)9-6-4-3-5-7-9/h3-8,10,12H,1-2H3/t10-/m0/s1 |
| InChIKey |
SXBWYXYGEHOVPU-JTQLQIEISA-N |
| Molecular Weight |
178.231 g/mol |
| SMILES |
C([C@](C(C)C)(O)[H])(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81251 |
