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2-(4-(Trifluoromethyl)cyclohexyl)pyrimidine
SpectraBase Compound ID 2a0bRw06Xi6
InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-4-2-8(3-5-9)10-15-6-1-7-16-10/h1,6-9H,2-5H2/t8-,9-
InChIKey CKTHNQAPWJMGNA-KYZUINATSA-N
Mol Weight 230.23 g/mol
Molecular Formula C11H13F3N2
Exact Mass 230.103083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QWBhE6Wx7M
Name 2-(4-(Trifluoromethyl)cyclohexyl)pyrimidine
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13F3N2
InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-4-2-8(3-5-9)10-15-6-1-7-16-10/h1,6-9H,2-5H2/t8-,9-
InChIKey CKTHNQAPWJMGNA-KYZUINATSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201914490
Molecular Weight 230.234 g/mol
Reported Formula C11H13F3N2
SMILES c1cnc(nc1)[C@]1(CC[C@@](CC1)(C(F)(F)F)[H])[H]
SPLASH splash10-00lr-1950000000-ae96bb76492b25ce921b
Sample Comments dr = 98:2
Source of Spectrum ACI-59-SM30-3af
Wiley ID 1857641