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4-(Trifluoromethyl)phenyl 2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)acetate
SpectraBase Compound ID 8ZPAsDb8Dmy
InChI InChI=1S/C19H25F3O3/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(23)25-15-7-5-14(6-8-15)19(20,21)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16+,17-/m1/s1
InChIKey FOQATPMHSGCAOJ-XOKHGSTOSA-N
Mol Weight 358.4 g/mol
Molecular Formula C19H25F3O3
Exact Mass 358.175579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JP0P1paxyEh
Name 4-(Trifluoromethyl)phenyl 2-(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)oxy)acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25F3O3
InChI InChI=1S/C19H25F3O3/c1-12(2)16-9-4-13(3)10-17(16)24-11-18(23)25-15-7-5-14(6-8-15)19(20,21)22/h5-8,12-13,16-17H,4,9-11H2,1-3H3/t13-,16+,17-/m1/s1
InChIKey FOQATPMHSGCAOJ-XOKHGSTOSA-N
Literature Reference DOI 10.1002/anie.201105446
Molecular Weight 358.401 g/mol
SMILES c1(ccc(cc1)OC(CO[C@@]1(C[C@@](CC[C@]1(C(C)C)[H])(C)[H])[H])=O)C(F)(F)F
SPLASH splash10-0019-9600000000-13fc857e13c023943ad6
Source of Spectrum ACI-50-SMS-18-7b
Wiley ID 1780145