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3-trifluoromethyl-1-phenylcyclohexa-1,3-diene
SpectraBase Compound ID 7zdGgsd6suG
InChI InChI=1S/C13H11F3/c14-13(15,16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,8-9H,4,7H2
InChIKey DHTRYTNFIRFVSO-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C13H11F3
Exact Mass 224.081285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Uuv4LWNu5h
Name 3-trifluoromethyl-1-phenylcyclohexa-1,3-diene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11F3
InChI InChI=1S/C13H11F3/c14-13(15,16)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-3,5-6,8-9H,4,7H2
InChIKey DHTRYTNFIRFVSO-UHFFFAOYSA-N
Molecular Weight 224.226 g/mol
SMILES C(C=1C=C(c2ccccc2)CCC1)(F)(F)F
SPLASH splash10-0gk9-1920000000-77b22a265b2e1128f458
Source of Spectrum KC-1991-1402-17
Synonyms [3-(trifluoromethyl)-1,3-cyclohexadien-1-yl]benzene
Wiley ID 1225158