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Ethyl trans-4-(3-(trifluoromethyl)phenyl)cyclohexane carboxylate
SpectraBase Compound ID JduXwQFZuwN
InChI InChI=1S/C16H19F3O2/c1-2-21-15(20)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(17,18)19/h3-5,10-12H,2,6-9H2,1H3/t11-,12-
InChIKey YOJCPNRQYNACQM-HAQNSBGRSA-N
Mol Weight 300.32 g/mol
Molecular Formula C16H19F3O2
Exact Mass 300.133714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fTGNxfyOOR
Name Ethyl trans-4-(3-(trifluoromethyl)phenyl)cyclohexane carboxylate
Alternate Name(s) (1r,4r)-ethyl 4-(3-(trifluoromethyl)phenyl)cyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19F3O2
InChI InChI=1S/C16H19F3O2/c1-2-21-15(20)12-8-6-11(7-9-12)13-4-3-5-14(10-13)16(17,18)19/h3-5,10-12H,2,6-9H2,1H3/t11-,12-
InChIKey YOJCPNRQYNACQM-HAQNSBGRSA-N
Literature Reference DOI 10.1021/ol403673e
Molecular Weight 300.321 g/mol
SMILES C1C[C@](CC[C@@]1(C(OCC)=O)[H])(c1cc(ccc1)C(F)(F)F)[H]
SPLASH splash10-0udi-0791000000-47cee69f7fbf4dab8b94
Source of Spectrum A1-16-924/SM39-3ag
Wiley ID 1747717