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(+)-(4S,2E)-1-(2-Fluoro-phenyl)-4-methyl-non-2-en-1-one
SpectraBase Compound ID H8vkT36RHmJ
InChI InChI=1S/C16H21FO/c1-3-4-5-8-13(2)11-12-16(18)14-9-6-7-10-15(14)17/h6-7,9-13H,3-5,8H2,1-2H3/b12-11+/t13-/m0/s1
InChIKey XSQNPNWTYWYOIN-YLSINNKHSA-N
Mol Weight 248.34 g/mol
Molecular Formula C16H21FO
Exact Mass 248.157643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nZTD6MglVD
Name (+)-(4S,2E)-1-(2-Fluoro-phenyl)-4-methyl-non-2-en-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21FO
InChI InChI=1S/C16H21FO/c1-3-4-5-8-13(2)11-12-16(18)14-9-6-7-10-15(14)17/h6-7,9-13H,3-5,8H2,1-2H3/b12-11+/t13-/m0/s1
InChIKey XSQNPNWTYWYOIN-YLSINNKHSA-N
Literature Reference DOI 10.1021/ol063097o
Molecular Weight 248.341 g/mol
SMILES c1(C(\C=C\[C@@](C)(CCCCC)[H])=O)ccccc1F
SPLASH splash10-00di-1900000000-1865e10e43efbdee2cb9
Source of Spectrum A1-9-1041/SMS22-(+)_(S)_6j
Synonyms (S,E)-1-(2-fluorophenyl)-4-methylnon-2-en-1-one
Wiley ID 1757934