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(2S)-2-Benzyl-1-(thien-2'-yl)pentan-1-one
SpectraBase Compound ID 270uRR3TCO7
InChI InChI=1S/C16H18OS/c1-2-7-14(12-13-8-4-3-5-9-13)16(17)15-10-6-11-18-15/h3-6,8-11,14H,2,7,12H2,1H3/t14-/m0/s1
InChIKey FMZQXVJNGBXPSJ-AWEZNQCLSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRJVypai1fA
Name (2S)-2-Benzyl-1-(thien-2'-yl)pentan-1-one
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821203
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-2-7-14(12-13-8-4-3-5-9-13)16(17)15-10-6-11-18-15/h3-6,8-11,14H,2,7,12H2,1H3/t14-/m0/s1
InChIKey FMZQXVJNGBXPSJ-AWEZNQCLSA-N
Molecular Weight 258.379 g/mol
SMILES c1(C([C@](Cc2ccccc2)(CCC)[H])=O)sccc1
SPLASH splash10-001j-9220000000-ec7e44aaaa0ed5d36a9a
Source of Spectrum F-69-799-11
Synonyms (2S)-2-benzyl-1-(2-thienyl)-1-pentanone
Wiley ID 1594565