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1-[4-(Trifluoromethyl)phenyl]heptan-1-one

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[4-(Trifluoromethyl)phenyl]heptan-1-one
SpectraBase Compound ID Hg03oBcwd5r
InChI InChI=1S/C14H17F3O/c1-2-3-4-5-6-13(18)11-7-9-12(10-8-11)14(15,16)17/h7-10H,2-6H2,1H3
InChIKey OPROLCDNTIPILI-UHFFFAOYSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H17F3O
Exact Mass 258.12315 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Iz99v1cHY
Name 1-[4-(Trifluoromethyl)phenyl]heptan-1-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17F3O
InChI InChI=1S/C14H17F3O/c1-2-3-4-5-6-13(18)11-7-9-12(10-8-11)14(15,16)17/h7-10H,2-6H2,1H3
InChIKey OPROLCDNTIPILI-UHFFFAOYSA-N
Molecular Weight 258.284 g/mol
SMILES c1cc(ccc1C(F)(F)F)C(=O)CCCCCC
SPLASH splash10-007a-0900000000-cb07f094551fe33a6505
Source of Spectrum ACI-52-SMS-16-S29
Synonyms 1-(4-(trifluoromethyl)phenyl)heptan-1-one
Wiley ID 1781483