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(2R,3R)-3-methyl-4-oxo-4-phenylbutan-2-yl acetate
SpectraBase Compound ID ITsRfE86a6h
InChI InChI=1S/C13H16O3/c1-9(10(2)16-11(3)14)13(15)12-7-5-4-6-8-12/h4-10H,1-3H3/t9-,10-/m1/s1
InChIKey NNNJBQXTJKZRQK-NXEZZACHSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHJ33mA019k
Name (2R,3R)-3-methyl-4-oxo-4-phenylbutan-2-yl acetate
Classification Alkyl-phenylketones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 220.109944372 u
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-9(10(2)16-11(3)14)13(15)12-7-5-4-6-8-12/h4-10H,1-3H3/t9-,10-/m1/s1
InChIKey NNNJBQXTJKZRQK-NXEZZACHSA-N
Molecular Weight 220.268 g/mol
Number of Peaks 5
SMILES c1(ccccc1)C([C@](C)([C@@](C)(OC(=O)C)[H])[H])=O
SPLASH splash10-0a4i-1900000000-689f5818aaed94022a30
Source of Spectrum FF-19-384-(2R,3R)_17a (DOI: 10.1002/ffj.1372)
Wiley ID 1775361