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1,1,1-Trifluoro-13-octadecyn-2-one
SpectraBase Compound ID LZB22cYUjFt
InChI InChI=1S/C18H29F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h2-4,7-16H2,1H3
InChIKey YPJGGCNDJHPIQQ-UHFFFAOYSA-N
Mol Weight 318.42 g/mol
Molecular Formula C18H29F3O
Exact Mass 318.21705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KbjAQy3Iqxr
Name 1,1,1-Trifluoro-13-octadecyn-2-one
Alternate Name(s) 1,1,1-tris(fluoranyl)octadec-13-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29F3O
InChI InChI=1S/C18H29F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(22)18(19,20)21/h2-4,7-16H2,1H3
InChIKey YPJGGCNDJHPIQQ-UHFFFAOYSA-N
Molecular Weight 318.424 g/mol
SMILES C(C(=O)CCCCCCCCCCC#CCCCC)(F)(F)F
SPLASH splash10-0kuv-9000000000-7500916c206cf7ad6195
Source of Spectrum F-50-12682-9b
Wiley ID 789944