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(E)-12-Fluoro-2,2-dimethyl-13-phenyltridec-12-en-3-one
SpectraBase Compound ID JwG3O0sVDMI
InChI InChI=1S/C21H31FO/c1-21(2,3)20(23)16-12-7-5-4-6-11-15-19(22)17-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3/b19-17+
InChIKey ZWJNYAFBFVCGND-HTXNQAPBSA-N
Mol Weight 318.48 g/mol
Molecular Formula C21H31FO
Exact Mass 318.235894 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jt4G7Vr70s4
Name (E)-12-Fluoro-2,2-dimethyl-13-phenyltridec-12-en-3-one
Alternate Name(s) (E)-12-fluoranyl-2,2-dimethyl-13-phenyl-tridec-12-en-3-one (E)-12-fluoro-2,2-dimethyl-13-phenyl-12-tridecen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO
InChI InChI=1S/C21H31FO/c1-21(2,3)20(23)16-12-7-5-4-6-11-15-19(22)17-18-13-9-8-10-14-18/h8-10,13-14,17H,4-7,11-12,15-16H2,1-3H3/b19-17+
InChIKey ZWJNYAFBFVCGND-HTXNQAPBSA-N
Molecular Weight 318.476 g/mol
SMILES CC(C(CCCCCCCC\C(=C/c1ccccc1)F)=O)(C)C
SPLASH splash10-053u-7911000000-f85d21635add4b2753e7
Source of Spectrum K-2002-388-3
Wiley ID 1580742