SpectraBase Compound ID | LKBbzhiv6vf |
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InChI | InChI=1S/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1 |
InChIKey | YEHRTTZJTORGJL-VIFPVBQESA-N |
Mol Weight | 162.23 g/mol |
Molecular Formula | C11H14O |
Exact Mass | 162.104465 g/mol |
SpectraBase Spectrum ID | 930Y2vfTouI |
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Name | (3S)-3-Methyl-4-phenyl-2-butanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 162.104465070 u |
Formula | C11H14O |
InChI | InChI=1S/C11H14O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1 |
InChIKey | YEHRTTZJTORGJL-VIFPVBQESA-N |
Molecular Weight | 162.232 g/mol |
SMILES | C([C@](CC1=CC=CC=C1)(C)[H])(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951121 |